AV49157
1334493-07-0 | BP-1-102
Manufacturer: A2B Chem
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CatalogNumber
AV49157
ChemicalName
BP-1-102
CasNumber
1334493-07-0
MolecularFormula
C29H27F5N2O6S
MolecularWeight
626.5915
MdlNumber
MFCD29477477
Smiles
O=C(N(c1ccc(c(c1)O)C(=O)O)Cc1ccc(cc1)C1CCCCC1)CN(S(=O)(=O)c1c(F)c(F)c(c(c1F)F)F)C
Complexity
1050
Covalently-bondedUnitCount
1
HeavyAtomCount
43
HydrogenBondAcceptorCount
12
HydrogenBondDonorCount
2
RotatableBondCount
9
Xlogp3
6.4
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CatalogNumber: AV49157
ChemicalName: BP-1-102
CasNumber: 1334493-07-0
MolecularFormula: C29H27F5N2O6S
MolecularWeight: 626.5915
MdlNumber: MFCD29477477
Smiles: O=C(N(c1ccc(c(c1)O)C(=O)O)Cc1ccc(cc1)C1CCCCC1)CN(S(=O)(=O)c1c(F)c(F)c(c(c1F)F)F)C
Complexity: 1050
Covalently-bondedUnitCount: 1
HeavyAtomCount: 43
HydrogenBondAcceptorCount: 12
HydrogenBondDonorCount: 2
RotatableBondCount: 9
Xlogp3: 6.4
CatalogNumber:
AV49157
ChemicalName:
BP-1-102
CasNumber:
1334493-07-0
MolecularFormula:
C29H27F5N2O6S
MolecularWeight:
626.5915
MdlNumber:
MFCD29477477
Smiles:
O=C(N(c1ccc(c(c1)O)C(=O)O)Cc1ccc(cc1)C1CCCCC1)CN(S(=O)(=O)c1c(F)c(F)c(c(c1F)F)F)C
Complexity:
1050
Covalently-bondedUnitCount:
1
HeavyAtomCount:
43
HydrogenBondAcceptorCount:
12
HydrogenBondDonorCount:
2
RotatableBondCount:
9
Xlogp3:
6.4
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Smiles: CC1=CS(=O)(=O)c2c1cccc2F
Complexity: __
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Smiles:
CC1=CS(=O)(=O)c2c1cccc2F
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Smiles: [N-]=[N+]=NCc1nc2c(o1)cccc2
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Smiles:
[N-]=[N+]=NCc1nc2c(o1)cccc2
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1ccc(c(c1)C#C)Cl
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1ccc(c(c1)C#C)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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