General Information of the Compound
| Compound ID |
CP0447229
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| Compound Name |
6-[(2R)-4-[4-benzyl-6-(trifluoromethyl)phthalazin-1-yl]-2-methylpiperazin-1-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C27H23F3N6
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| Molecular Weight |
488.517
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ccc(cn1)C#N)c1nnc(Cc2ccccc2)c2cc(ccc12)C(F)(F)F
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| InChI |
InChI=1S/C27H23F3N6/c1-18-17-35(11-12-36(18)25-10-7-20(15-31)16-32-25)26-22-9-8-21(27(28,29)30)14-23(22)24(33-34-26)13-19-5-3-2-4-6-19/h2-10,14,16,18H,11-13,17H2,1H3/t18-/m1/s1
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| InChIKey |
GHSROVNUMQJORM-GOSISDBHSA-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