General Information of the Compound
| Compound ID |
CP0271490
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| Compound Name |
2-[(3S)-4-[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-oxoacetaldehyde
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| Formula |
C29H28ClFN6O3
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| Molecular Weight |
563.033
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| Canonical SMILES |
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=O)-c1ccccc1F
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| InChI |
InChI=1S/C29H28ClFN6O3/c1-16(2)24-26(17(3)9-10-32-24)37-28-20(13-21(30)25(33-28)19-7-5-6-8-22(19)31)27(34-29(37)40)36-12-11-35(14-18(36)4)23(39)15-38/h5-10,13,15-16,18H,11-12,14H2,1-4H3/t18-/m0/s1
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| InChIKey |
GXMQSMQCFYBLLU-SFHVURJKSA-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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