General Information of the Compound
| Compound ID |
CP0911810
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| Compound Name |
3-methoxy-6-(1-methyl-2-oxo-1,2,3,4-tetrahydro-quinoline-6-carbonyl)-2-[(S)-1-(4-trifluoromethylphenyl)ethylamino]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C28H28F3N5O4
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| Molecular Weight |
555.557
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| Canonical SMILES |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc3c(c1)CCC(=O)N3C)CC2
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| InChI |
InChI=1S/C28H28F3N5O4/c1-16(17-4-8-20(9-5-17)28(29,30)31)32-27-33-22-12-13-35(15-21(22)26(39)36(27)40-3)25(38)19-6-10-23-18(14-19)7-11-24(37)34(23)2/h4-6,8-10,14,16H,7,11-13,15H2,1-3H3,(H,32,33)/t16-/m0/s1
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| InChIKey |
RCWXKVVPAHXRSO-INIZCTEOSA-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