AB46264
142880-36-2 | Ilomastat
Manufacturer: A2B Chem
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CatalogNumber
AB46264
ChemicalName
Ilomastat
CasNumber
142880-36-2
MolecularFormula
C20H28N4O4
MolecularWeight
388.4607
MdlNumber
MFCD00917040
Smiles
ONC(=O)C[C@H](C(=O)N[C@H](C(=O)NC)Cc1c[nH]c2c1cccc2)CC(C)C
NscNumber
727632
Complexity
554
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
28
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
5
RotatableBondCount
9
Xlogp3
0.9
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CatalogNumber: AB46264
ChemicalName: Ilomastat
CasNumber: 142880-36-2
MolecularFormula: C20H28N4O4
MolecularWeight: 388.4607
MdlNumber: MFCD00917040
Smiles: ONC(=O)C[C@H](C(=O)N[C@H](C(=O)NC)Cc1c[nH]c2c1cccc2)CC(C)C
NscNumber: 727632
Complexity: 554
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 28
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 5
RotatableBondCount: 9
Xlogp3: 0.9
CatalogNumber:
AB46264
ChemicalName:
Ilomastat
CasNumber:
142880-36-2
MolecularFormula:
C20H28N4O4
MolecularWeight:
388.4607
MdlNumber:
MFCD00917040
Smiles:
ONC(=O)C[C@H](C(=O)N[C@H](C(=O)NC)Cc1c[nH]c2c1cccc2)CC(C)C
NscNumber:
727632
Complexity:
554
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
28
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
5
RotatableBondCount:
9
Xlogp3:
0.9
CatalogNumber: AB46265
ChemicalName: Imatinib
CasNumber: 152459-95-5
MolecularFormula: C29H31N7O
MolecularWeight: 493.6027
MdlNumber: MFCD05662257
Smiles: CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C
NscNumber: __
Complexity: 706
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 3.5
CatalogNumber:
AB46265
ChemicalName:
Imatinib
CasNumber:
152459-95-5
MolecularFormula:
C29H31N7O
MolecularWeight:
493.6027
MdlNumber:
MFCD05662257
Smiles:
CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C
NscNumber:
__
Complexity:
706
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
3.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CS(=O)(=O)O.CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CS(=O)(=O)O.CN1CCN(CC1)Cc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB46267
ChemicalName: Imazodan
CasNumber: 84243-58-3
MolecularFormula: C13H12N4O
MolecularWeight: 240.2606
MdlNumber: MFCD00867109
Smiles: O=C1CCC(=NN1)c1ccc(cc1)n1cncc1
NscNumber: __
Complexity: 347
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.7
CatalogNumber:
AB46267
ChemicalName:
Imazodan
CasNumber:
84243-58-3
MolecularFormula:
C13H12N4O
MolecularWeight:
240.2606
MdlNumber:
MFCD00867109
Smiles:
O=C1CCC(=NN1)c1ccc(cc1)n1cncc1
NscNumber:
__
Complexity:
347
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.7