AE81355
1472795-20-2 | Krca-0008
Manufacturer: A2B Chem
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CatalogNumber
AE81355
ChemicalName
Krca-0008
CasNumber
1472795-20-2
MolecularFormula
C30H37ClN8O4
MolecularWeight
609.1189800000002
MdlNumber
MFCD28133395
Smiles
COc1cc(ccc1Nc1ncc(c(n1)Nc1ccc(cc1OC)N1CCN(CC1)C(=O)C)Cl)N1CCN(CC1)C(=O)C
Complexity
919
Covalently-bondedUnitCount
1
HeavyAtomCount
43
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
2
RotatableBondCount
8
Xlogp3
3.3
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CatalogNumber: AE81355
ChemicalName: Krca-0008
CasNumber: 1472795-20-2
MolecularFormula: C30H37ClN8O4
MolecularWeight: 609.1189800000002
MdlNumber: MFCD28133395
Smiles: COc1cc(ccc1Nc1ncc(c(n1)Nc1ccc(cc1OC)N1CCN(CC1)C(=O)C)Cl)N1CCN(CC1)C(=O)C
Complexity: 919
Covalently-bondedUnitCount: 1
HeavyAtomCount: 43
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 2
RotatableBondCount: 8
Xlogp3: 3.3
CatalogNumber:
AE81355
ChemicalName:
Krca-0008
CasNumber:
1472795-20-2
MolecularFormula:
C30H37ClN8O4
MolecularWeight:
609.1189800000002
MdlNumber:
MFCD28133395
Smiles:
COc1cc(ccc1Nc1ncc(c(n1)Nc1ccc(cc1OC)N1CCN(CC1)C(=O)C)Cl)N1CCN(CC1)C(=O)C
Complexity:
919
Covalently-bondedUnitCount:
1
HeavyAtomCount:
43
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
2
RotatableBondCount:
8
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@@H]([C@@H](C(=O)O)O)C(=O)O.COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc([nH]1)c1ccc3-c4c(C(c3c1)(F)F)cc(cc4)c1ccc3c(c1)[nH]c(n3)[C@@H]1[C@H]3CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C3)CC2)C(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@@H]([C@@H](C(=O)O)O)C(=O)O.COC(=O)N[C@H](C(=O)N1CC2(C[C@H]1c1ncc([nH]1)c1ccc3-c4c(C(c3c1)(F)F)cc(cc4)c1ccc3c(c1)[nH]c(n3)[C@@H]1[C@H]3CC[C@@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C3)CC2)C(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CON(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CON(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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
Complexity: 790
Covalently-bondedUnitCount: 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
Complexity:
790
Covalently-bondedUnitCount:
1
HeavyAtomCount:
36
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
4.8