AB53158
1032900-25-6 | 5-chloro-2-N-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-4-N-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
Manufacturer: A2B Chem
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CatalogNumber
AB53158
ChemicalName
5-chloro-2-N-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-4-N-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
CasNumber
1032900-25-6
MolecularFormula
C28H36ClN5O3S
MolecularWeight
558.1351
MdlNumber
MFCD26142648
Smiles
CC(Oc1cc(C2CCNCC2)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C
Complexity
835
Covalently-bondedUnitCount
1
HeavyAtomCount
38
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
3
RotatableBondCount
9
Xlogp3
6.4
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CatalogNumber: AB53158
ChemicalName: 5-chloro-2-N-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-4-N-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
CasNumber: 1032900-25-6
MolecularFormula: C28H36ClN5O3S
MolecularWeight: 558.1351
MdlNumber: MFCD26142648
Smiles: CC(Oc1cc(C2CCNCC2)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C
Complexity: 835
Covalently-bondedUnitCount: 1
HeavyAtomCount: 38
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 3
RotatableBondCount: 9
Xlogp3: 6.4
CatalogNumber:
AB53158
ChemicalName:
5-chloro-2-N-[5-methyl-4-(piperidin-4-yl)-2-(propan-2-yloxy)phenyl]-4-N-[2-(propane-2-sulfonyl)phenyl]pyrimidine-2,4-diamine
CasNumber:
1032900-25-6
MolecularFormula:
C28H36ClN5O3S
MolecularWeight:
558.1351
MdlNumber:
MFCD26142648
Smiles:
CC(Oc1cc(C2CCNCC2)c(cc1Nc1ncc(c(n1)Nc1ccccc1S(=O)(=O)C(C)C)Cl)C)C
Complexity:
835
Covalently-bondedUnitCount:
1
HeavyAtomCount:
38
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
3
RotatableBondCount:
9
Xlogp3:
6.4
CatalogNumber: AB53159
ChemicalName: Incb28060
CasNumber: 1029712-80-8
MolecularFormula: C23H17FN6O
MolecularWeight: 412.4191
MdlNumber: MFCD18633285
Smiles: CNC(=O)c1ccc(cc1F)c1cnc2n(n1)c(cn2)Cc1ccc2c(c1)cccn2
Complexity: 637
Covalently-bondedUnitCount: 1
HeavyAtomCount: 31
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.9
CatalogNumber:
AB53159
ChemicalName:
Incb28060
CasNumber:
1029712-80-8
MolecularFormula:
C23H17FN6O
MolecularWeight:
412.4191
MdlNumber:
MFCD18633285
Smiles:
CNC(=O)c1ccc(cc1F)c1cnc2n(n1)c(cn2)Cc1ccc2c(c1)cccn2
Complexity:
637
Covalently-bondedUnitCount:
1
HeavyAtomCount:
31
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.9
CatalogNumber: __
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Smiles: CCCC(=O)O[C@H]1CC(=O)N(C)c2cc(C/C(=C/C=C/[C@H]([C@]3(C[C@@H]([C@H]([C@H]4[C@@]1(C)O4)C)OC(=O)N3)O)OC)/C)cc(c2Cl)OC
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Smiles:
CCCC(=O)O[C@H]1CC(=O)N(C)c2cc(C/C(=C/C=C/[C@H]([C@]3(C[C@@H]([C@H]([C@H]4[C@@]1(C)O4)C)OC(=O)N3)O)OC)/C)cc(c2Cl)OC
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: CN1CCC(C1)(C)C(=O)O
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Smiles:
CN1CCC(C1)(C)C(=O)O
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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