AE11363
1187431-43-1 | N-(3-(3-Cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2h)-yl)phenyl)acetamide compound with (methylsulfinyl)methane (1:1)
Manufacturer: A2B Chem
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CatalogNumber
AE11363
ChemicalName
N-(3-(3-Cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2h)-yl)phenyl)acetamide compound with (methylsulfinyl)methane (1:1)
CasNumber
1187431-43-1
MolecularFormula
C28H29FIN5O5S
MolecularWeight
693.5282
MdlNumber
MFCD21609250
Smiles
CC(=O)Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C.CS(=O)C
Complexity
1120
Covalently-bondedUnitCount
2
HeavyAtomCount
41
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
2
RotatableBondCount
5
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CatalogNumber: AE11363
ChemicalName: N-(3-(3-Cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2h)-yl)phenyl)acetamide compound with (methylsulfinyl)methane (1:1)
CasNumber: 1187431-43-1
MolecularFormula: C28H29FIN5O5S
MolecularWeight: 693.5282
MdlNumber: MFCD21609250
Smiles: CC(=O)Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C.CS(=O)C
Complexity: 1120
Covalently-bondedUnitCount: 2
HeavyAtomCount: 41
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 5
CatalogNumber:
AE11363
ChemicalName:
N-(3-(3-Cyclopropyl-5-((2-fluoro-4-iodophenyl)amino)-6,8-dimethyl-2,4,7-trioxo-3,4,6,7-tetrahydropyrido[4,3-d]pyrimidin-1(2h)-yl)phenyl)acetamide compound with (methylsulfinyl)methane (1:1)
CasNumber:
1187431-43-1
MolecularFormula:
C28H29FIN5O5S
MolecularWeight:
693.5282
MdlNumber:
MFCD21609250
Smiles:
CC(=O)Nc1cccc(c1)n1c(=O)n(C2CC2)c(=O)c2c1c(C)c(=O)n(c2Nc1ccc(cc1F)I)C.CS(=O)C
Complexity:
1120
Covalently-bondedUnitCount:
2
HeavyAtomCount:
41
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
5
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Smiles: COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)[O-])ccc1OC.[Na+]
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COc1cc(/C=C/C(=O)Nc2ccccc2C(=O)[O-])ccc1OC.[Na+]
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Smiles: CC(=O)OCC1C2CC3C1C3C2=O
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CC(=O)OCC1C2CC3C1C3C2=O
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Smiles: Fc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)Oc1ccnc2c1cc([nH]2)C(=O)NCCN1CCOCC1
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Smiles:
Fc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)Oc1ccnc2c1cc([nH]2)C(=O)NCCN1CCOCC1
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