General Information of the Compound
| Compound ID |
CP0864756
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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)isoquinoline-1,3(2H,4H)-dione
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| Structure |
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| Formula |
C24H23F3N6O2
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| Molecular Weight |
484.482
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| Canonical SMILES |
C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)C(=O)NC(=O)C3)CCN1c1ccc(C(F)(F)F)cn1
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| InChI |
InChI=1S/C24H23F3N6O2/c1-14-12-32(6-7-33(14)20-5-4-18(11-28-20)24(25,26)27)13-17-10-29-31-22(17)16-3-2-15-9-21(34)30-23(35)19(15)8-16/h2-5,8,10-11,14H,6-7,9,12-13H2,1H3,(H,29,31)(H,30,34,35)/t14-/m1/s1
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| InChIKey |
PXTRGOTVCVWVTB-CQSZACIVSA-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