AE81652
1628316-74-4 | MI-136
Manufacturer: A2B Chem
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CatalogNumber
AE81652
ChemicalName
MI-136
CasNumber
1628316-74-4
MolecularFormula
C23H21F3N6S
MolecularWeight
470.5132
MdlNumber
MFCD28506294
Smiles
N#Cc1[nH]c2c(c1)cc(cc2)CN1CCC(CC1)Nc1ncnc2c1cc(s2)CC(F)(F)F
Complexity
721
Covalently-bondedUnitCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
5.5
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CatalogNumber: AE81652
ChemicalName: MI-136
CasNumber: 1628316-74-4
MolecularFormula: C23H21F3N6S
MolecularWeight: 470.5132
MdlNumber: MFCD28506294
Smiles: N#Cc1[nH]c2c(c1)cc(cc2)CN1CCC(CC1)Nc1ncnc2c1cc(s2)CC(F)(F)F
Complexity: 721
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 5.5
CatalogNumber:
AE81652
ChemicalName:
MI-136
CasNumber:
1628316-74-4
MolecularFormula:
C23H21F3N6S
MolecularWeight:
470.5132
MdlNumber:
MFCD28506294
Smiles:
N#Cc1[nH]c2c(c1)cc(cc2)CN1CCC(CC1)Nc1ncnc2c1cc(s2)CC(F)(F)F
Complexity:
721
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
5.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CNCCN1CCC(CC1)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CNCCN1CCC(CC1)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc2c1C(=O)OC2=O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc2c1C(=O)OC2=O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CNC(=O)c1ccccc1O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CNC(=O)c1ccccc1O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__