General Information of the Compound
| Compound ID |
CP0130475
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| Compound Name |
ethyl (2R,3R)-3-[(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-methylpiperazine-1-carbonyl]oxirane-2-carboxylate
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| Formula |
C33H34ClFN6O5
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| Molecular Weight |
649.123
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| Canonical SMILES |
CCOC(=O)[C@@H]1O[C@H]1C(=O)N1CCN([C@@H](C)C1)c1nc(=O)n(-c2c(C)ccnc2C(C)C)c2nc(c(Cl)cc12)-c1ccccc1F
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| InChI |
InChI=1S/C33H34ClFN6O5/c1-6-45-32(43)28-27(46-28)31(42)39-13-14-40(19(5)16-39)29-21-15-22(34)25(20-9-7-8-10-23(20)35)37-30(21)41(33(44)38-29)26-18(4)11-12-36-24(26)17(2)3/h7-12,15,17,19,27-28H,6,13-14,16H2,1-5H3/t19-,27+,28+/m0/s1
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| InChIKey |
AFIYRNYNWQYKSR-DTHMXLAUSA-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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