AB48586
936727-05-8 | 3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48586
ChemicalName
3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid
CasNumber
936727-05-8
MolecularFormula
C24H18F2N2O5
MolecularWeight
452.4069
MdlNumber
MFCD16659051
Smiles
O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C
Complexity
776
Covalently-bondedUnitCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
4.4
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CatalogNumber: AB48586
ChemicalName: 3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid
CasNumber: 936727-05-8
MolecularFormula: C24H18F2N2O5
MolecularWeight: 452.4069
MdlNumber: MFCD16659051
Smiles: O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C
Complexity: 776
Covalently-bondedUnitCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 4.4
CatalogNumber:
AB48586
ChemicalName:
3-(6-[[1-(2,2-Difluoro-benzo[1,3]dioxol-5-yl)-cyclopropanecarbonyl]-amino]-3-methyl-pyridin-2-yl)-benzoic acid
CasNumber:
936727-05-8
MolecularFormula:
C24H18F2N2O5
MolecularWeight:
452.4069
MdlNumber:
MFCD16659051
Smiles:
O=C(C1(CC1)c1ccc2c(c1)OC(O2)(F)F)Nc1ccc(c(n1)c1cccc(c1)C(=O)O)C
Complexity:
776
Covalently-bondedUnitCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
4.4
CatalogNumber: AB48587
ChemicalName: 4-Hydroxymethyl-7-azaindole
CasNumber: 936549-95-0
MolecularFormula: C8H8N2O
MolecularWeight: 148.1619
MdlNumber: MFCD09263242
Smiles: OCc1ccnc2c1cc[nH]2
Complexity: 140
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 0.4
CatalogNumber:
AB48587
ChemicalName:
4-Hydroxymethyl-7-azaindole
CasNumber:
936549-95-0
MolecularFormula:
C8H8N2O
MolecularWeight:
148.1619
MdlNumber:
MFCD09263242
Smiles:
OCc1ccnc2c1cc[nH]2
Complexity:
140
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
0.4
CatalogNumber: AB48588
ChemicalName: 1-Methyl-5-nitro-1H-imidazole-2-methanol
CasNumber: 936-05-0
MolecularFormula: C5H7N3O3
MolecularWeight: 157.1274
MdlNumber: MFCD00159675
Smiles: OCc1ncc(n1C)[N+](=O)[O-]
Complexity: 158
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: -0.4
CatalogNumber:
AB48588
ChemicalName:
1-Methyl-5-nitro-1H-imidazole-2-methanol
CasNumber:
936-05-0
MolecularFormula:
C5H7N3O3
MolecularWeight:
157.1274
MdlNumber:
MFCD00159675
Smiles:
OCc1ncc(n1C)[N+](=O)[O-]
Complexity:
158
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
-0.4
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Smiles: COc1cc(C)c(cc1C(=O)O)C
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Smiles:
COc1cc(C)c(cc1C(=O)O)C
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