AE81331
170364-57-5 | Enzastaurin
Manufacturer: A2B Chem
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CatalogNumber
AE81331
ChemicalName
Enzastaurin
CasNumber
170364-57-5
MolecularFormula
C32H29N5O2
MolecularWeight
515.605
MdlNumber
MFCD11040980
Smiles
O=C1NC(=O)C(=C1c1cn(c2c1cccc2)C1CCN(CC1)Cc1ccccn1)c1cn(c2c1cccc2)C
Complexity
974
Covalently-bondedUnitCount
1
HeavyAtomCount
39
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
3.7
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CatalogNumber: AE81331
ChemicalName: Enzastaurin
CasNumber: 170364-57-5
MolecularFormula: C32H29N5O2
MolecularWeight: 515.605
MdlNumber: MFCD11040980
Smiles: O=C1NC(=O)C(=C1c1cn(c2c1cccc2)C1CCN(CC1)Cc1ccccn1)c1cn(c2c1cccc2)C
Complexity: 974
Covalently-bondedUnitCount: 1
HeavyAtomCount: 39
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 3.7
CatalogNumber:
AE81331
ChemicalName:
Enzastaurin
CasNumber:
170364-57-5
MolecularFormula:
C32H29N5O2
MolecularWeight:
515.605
MdlNumber:
MFCD11040980
Smiles:
O=C1NC(=O)C(=C1c1cn(c2c1cccc2)C1CCN(CC1)Cc1ccccn1)c1cn(c2c1cccc2)C
Complexity:
974
Covalently-bondedUnitCount:
1
HeavyAtomCount:
39
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
3.7
CatalogNumber: __
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Smiles: OCC(=O)N1CCN(CC1)c1ccc(cc1F)N1C[C@@H](OC1=O)CNC(=O)C
Complexity: __
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Smiles:
OCC(=O)N1CCN(CC1)c1ccc(cc1F)N1C[C@@H](OC1=O)CNC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COCCOc1cc2c(ncnc2cc1OCCCl)Nc1cccc(c1)C#C
Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COCCOc1cc2c(ncnc2cc1OCCCl)Nc1cccc(c1)C#C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: ClCCOc1cc2c(ncnc2cc1OCCOC)Nc1cccc(c1)C#C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCCOc1cc2c(ncnc2cc1OCCOC)Nc1cccc(c1)C#C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__