AB48644
905854-02-6 | Tivantinib
Manufacturer: A2B Chem
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CatalogNumber
AB48644
ChemicalName
Tivantinib
CasNumber
905854-02-6
MolecularFormula
C23H19N3O2
MolecularWeight
369.4159
MdlNumber
MFCD11977597
Smiles
O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2c1cccc2)c1cn2c3c1cccc3CCC2
Complexity
666
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
28
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AB48644
ChemicalName: Tivantinib
CasNumber: 905854-02-6
MolecularFormula: C23H19N3O2
MolecularWeight: 369.4159
MdlNumber: MFCD11977597
Smiles: O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2c1cccc2)c1cn2c3c1cccc3CCC2
Complexity: 666
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AB48644
ChemicalName:
Tivantinib
CasNumber:
905854-02-6
MolecularFormula:
C23H19N3O2
MolecularWeight:
369.4159
MdlNumber:
MFCD11977597
Smiles:
O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2c1cccc2)c1cn2c3c1cccc3CCC2
Complexity:
666
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
2.9
CatalogNumber: AB48645
ChemicalName: 5-Chloro-1H-pyrazolo[4,3-b]pyridine
CasNumber: 94220-45-8
MolecularFormula: C6H4ClN3
MolecularWeight: 153.5691
MdlNumber: MFCD05663984
Smiles: Clc1ccc2c(n1)cn[nH]2
Complexity: 130
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
AB48645
ChemicalName:
5-Chloro-1H-pyrazolo[4,3-b]pyridine
CasNumber:
94220-45-8
MolecularFormula:
C6H4ClN3
MolecularWeight:
153.5691
MdlNumber:
MFCD05663984
Smiles:
Clc1ccc2c(n1)cn[nH]2
Complexity:
130
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: AB48646
ChemicalName: Atovaquone
CasNumber: 95233-18-4
MolecularFormula: C22H19ClO3
MolecularWeight: 366.8375
MdlNumber: MFCD00889188
Smiles: Clc1ccc(cc1)[C@@H]1CC[C@H](CC1)C1=C(O)C(=O)c2c(C1=O)cccc2
Complexity: 595
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 5.2
CatalogNumber:
AB48646
ChemicalName:
Atovaquone
CasNumber:
95233-18-4
MolecularFormula:
C22H19ClO3
MolecularWeight:
366.8375
MdlNumber:
MFCD00889188
Smiles:
Clc1ccc(cc1)[C@@H]1CC[C@H](CC1)C1=C(O)C(=O)c2c(C1=O)cccc2
Complexity:
595
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
5.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCOC(=O)C(C)C
Complexity: 188
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 6.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCOC(=O)C(C)C
Complexity:
188
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
6.6