AA95378
1801787-56-3 | OICR-9429
Manufacturer: A2B Chem
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CatalogNumber
AA95378
ChemicalName
OICR-9429
CasNumber
1801787-56-3
MolecularFormula
C29H32F3N5O3
MolecularWeight
555.5912896
MdlNumber
MFCD28411621
Smiles
CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1cccc(c1)CN1CCOCC1
Complexity
973
Covalently-bondedUnitCount
1
HeavyAtomCount
40
HydrogenBondAcceptorCount
9
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
2.2
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CatalogNumber: AA95378
ChemicalName: OICR-9429
CasNumber: 1801787-56-3
MolecularFormula: C29H32F3N5O3
MolecularWeight: 555.5912896
MdlNumber: MFCD28411621
Smiles: CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1cccc(c1)CN1CCOCC1
Complexity: 973
Covalently-bondedUnitCount: 1
HeavyAtomCount: 40
HydrogenBondAcceptorCount: 9
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 2.2
CatalogNumber:
AA95378
ChemicalName:
OICR-9429
CasNumber:
1801787-56-3
MolecularFormula:
C29H32F3N5O3
MolecularWeight:
555.5912896
MdlNumber:
MFCD28411621
Smiles:
CN1CCN(CC1)c1ccc(cc1NC(=O)c1c[nH]c(=O)cc1C(F)(F)F)c1cccc(c1)CN1CCOCC1
Complexity:
973
Covalently-bondedUnitCount:
1
HeavyAtomCount:
40
HydrogenBondAcceptorCount:
9
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(OC(C)(C)C)NC1CCC21CNC2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(OC(C)(C)C)NC1CCC21CNC2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Nc1nc(cnc1c1cccc(c1Cl)Cl)N1CCC(CC1)(C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Nc1nc(cnc1c1cccc(c1Cl)Cl)N1CCC(CC1)(C)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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CatalogNumber: AA95381
ChemicalName: Shp099 (hydrochloride)
CasNumber: 1801747-11-4
MolecularFormula: C16H20Cl3N5
MolecularWeight: 388.7224999999999
MdlNumber: MFCD30343849
Smiles: Nc1nc(cnc1c1cccc(c1Cl)Cl)N1CCC(CC1)(C)N.Cl
Complexity: 402
Covalently-bondedUnitCount: 2
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AA95381
ChemicalName:
Shp099 (hydrochloride)
CasNumber:
1801747-11-4
MolecularFormula:
C16H20Cl3N5
MolecularWeight:
388.7224999999999
MdlNumber:
MFCD30343849
Smiles:
Nc1nc(cnc1c1cccc(c1Cl)Cl)N1CCC(CC1)(C)N.Cl
Complexity:
402
Covalently-bondedUnitCount:
2
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
__