General Information of the Compound
| Compound ID |
CP0852642
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| Compound Name |
3-methoxy-6-(quinoline-3-carbonyl)-2-[(S)-1-4-trifluoromethylphenyl)ethylamino]-5,6,7,8-tetrahydro-3Hpyrido[4,3-d]pyrimidin-4-one
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| Structure |
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| Formula |
C27H24F3N5O3
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| Molecular Weight |
523.515
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| Canonical SMILES |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cnc3ccccc3c1)CC2
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| InChI |
InChI=1S/C27H24F3N5O3/c1-16(17-7-9-20(10-8-17)27(28,29)30)32-26-33-23-11-12-34(15-21(23)25(37)35(26)38-2)24(36)19-13-18-5-3-4-6-22(18)31-14-19/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,32,33)/t16-/m0/s1
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| InChIKey |
IVSFHOPYUVFWPS-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