General Information of the Compound
| Compound ID |
CP0864751
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| Compound Name |
(R)-7-(4-((3-methyl-4-(5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)methyl)-1H-pyrazol-3-yl)-1,2-dihydroisoquinolin-3(4H)-one
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| Structure |
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| Formula |
C24H25F3N6O
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| Molecular Weight |
470.499
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| Canonical SMILES |
C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)C3)CCN1c1ccc(C(F)(F)F)cn1
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| InChI |
InChI=1S/C24H25F3N6O/c1-15-13-32(6-7-33(15)21-5-4-20(12-28-21)24(25,26)27)14-19-11-30-31-23(19)17-3-2-16-9-22(34)29-10-18(16)8-17/h2-5,8,11-12,15H,6-7,9-10,13-14H2,1H3,(H,29,34)(H,30,31)/t15-/m1/s1
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| InChIKey |
VQQWXCJGARFUOZ-OAHLLOKOSA-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