General Information of the Compound
| Compound ID |
CP0211535
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| Compound Name |
1-(2-aminophenyl)-3-[({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amino]propan-1-one
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| Structure |
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| Formula |
C30H27N5OS
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| Molecular Weight |
505.647
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| Canonical SMILES |
CSc1ncc2cc(-c3ccccc3)c(nc2n1)-c1ccc(CNCCC(=O)c2ccccc2N)cc1
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| InChI |
InChI=1S/C30H27N5OS/c1-37-30-33-19-23-17-25(21-7-3-2-4-8-21)28(34-29(23)35-30)22-13-11-20(12-14-22)18-32-16-15-27(36)24-9-5-6-10-26(24)31/h2-14,17,19,32H,15-16,18,31H2,1H3
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| InChIKey |
LQOQPLJMWKFALQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound