General Information of the Compound
| Compound ID |
CP0953468
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| Compound Name |
6-[3-(4-chlorophenyl)propionyl]-3-methoxy-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 |
C26H26ClF3N4O3
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| Molecular Weight |
534.966
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| Canonical SMILES |
COn1c(N[C@@H](C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)CCc1ccc(Cl)cc1)CC2
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| InChI |
InChI=1S/C26H26ClF3N4O3/c1-16(18-6-8-19(9-7-18)26(28,29)30)31-25-32-22-13-14-33(15-21(22)24(36)34(25)37-2)23(35)12-5-17-3-10-20(27)11-4-17/h3-4,6-11,16H,5,12-15H2,1-2H3,(H,31,32)/t16-/m0/s1
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| InChIKey |
NFKQBFPTPKKCGZ-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