General Information of the Compound
| Compound ID |
CP0561757
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| Compound Name |
5-methyl-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-6-phenyl-8-[(3R)-1-propanoylpiperidin-3-yl]pyrido[2,3-d]pyrimidin-7-one
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| Structure |
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| Formula |
C34H41N7O2
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| Molecular Weight |
579.749
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| Canonical SMILES |
CCC(=O)N1CCC[C@H](C1)n1c2nc(Nc3ccc(N4CCN(C)CC4)c(C)c3)ncc2c(C)c(-c2ccccc2)c1=O
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| InChI |
InChI=1S/C34H41N7O2/c1-5-30(42)40-15-9-12-27(22-40)41-32-28(24(3)31(33(41)43)25-10-7-6-8-11-25)21-35-34(37-32)36-26-13-14-29(23(2)20-26)39-18-16-38(4)17-19-39/h6-8,10-11,13-14,20-21,27H,5,9,12,15-19,22H2,1-4H3,(H,35,36,37)/t27-/m1/s1
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| InChIKey |
FZFBDQZLVGZMJL-HHHXNRCGSA-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