AB54472
7689-03-4 | (19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
Manufacturer: A2B Chem
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CatalogNumber
AB54472
ChemicalName
(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CasNumber
7689-03-4
MolecularFormula
C20H16N2O4
MolecularWeight
348.35203999999993
MdlNumber
MFCD00081076
Smiles
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
NscNumber
94600
Complexity
742
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1
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CatalogNumber: AB54472
ChemicalName: (19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CasNumber: 7689-03-4
MolecularFormula: C20H16N2O4
MolecularWeight: 348.35203999999993
MdlNumber: MFCD00081076
Smiles: CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
NscNumber: 94600
Complexity: 742
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1
CatalogNumber:
AB54472
ChemicalName:
(19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0^{2,11}.0^{4,9}.0^{15,20}]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
CasNumber:
7689-03-4
MolecularFormula:
C20H16N2O4
MolecularWeight:
348.35203999999993
MdlNumber:
MFCD00081076
Smiles:
CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O
NscNumber:
94600
Complexity:
742
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1
CatalogNumber: __
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Smiles: ClCO[C@H]1C[C@H](C)CC[C@@H]1C(C)C
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Complexity: __
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Smiles:
ClCO[C@H]1C[C@H](C)CC[C@@H]1C(C)C
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Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: ClCO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
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Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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__
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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Smiles:
ClCO[C@H]1C[C@@H](C)CC[C@@H]1C(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: OC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccccc1
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@H]1CCCC[C@H]1NC(=O)c1ccccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__