AE81358
193275-84-2 | Lonafarnib
Manufacturer: A2B Chem
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CatalogNumber
AE81358
ChemicalName
Lonafarnib
CasNumber
193275-84-2
MolecularFormula
C27H31Br2ClN4O2
MolecularWeight
638.8216
MdlNumber
MFCD06795138
Smiles
Clc1cc(Br)c2c(c1)CCc1c([C@@H]2C2CCN(CC2)C(=O)CC2CCN(CC2)C(=O)N)ncc(c1)Br
NscNumber
719467
Complexity
790
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
36
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
4.8
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CatalogNumber: AE81358
ChemicalName: Lonafarnib
CasNumber: 193275-84-2
MolecularFormula: C27H31Br2ClN4O2
MolecularWeight: 638.8216
MdlNumber: MFCD06795138
Smiles: Clc1cc(Br)c2c(c1)CCc1c([C@@H]2C2CCN(CC2)C(=O)CC2CCN(CC2)C(=O)N)ncc(c1)Br
NscNumber: 719467
Complexity: 790
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 36
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 4.8
CatalogNumber:
AE81358
ChemicalName:
Lonafarnib
CasNumber:
193275-84-2
MolecularFormula:
C27H31Br2ClN4O2
MolecularWeight:
638.8216
MdlNumber:
MFCD06795138
Smiles:
Clc1cc(Br)c2c(c1)CCc1c([C@@H]2C2CCN(CC2)C(=O)CC2CCN(CC2)C(=O)N)ncc(c1)Br
NscNumber:
719467
Complexity:
790
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.8
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MolecularFormula: __
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Smiles: NC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OCC1c2ccccc2-c2c1cccc2
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Smiles:
NC(=O)NCCC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)OCC1c2ccccc2-c2c1cccc2
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: C=CCC1(CCCN1)C(=O)O.Cl
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Smiles:
C=CCC1(CCCN1)C(=O)O.Cl
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
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Smiles: CC(c1n(C)nc2c1cc(cc2)c1ccnc(n1)NC1CCC(CC1)NC1CCOCC1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1n(C)nc2c1cc(cc2)c1ccnc(n1)NC1CCC(CC1)NC1CCOCC1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__