General Information of the Compound
| Compound ID |
CP0881284
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| Compound Name |
(R)-(2-((1H-indol-3-yl)methyl)-4-(2-(methoxyimino)propyl)piperazin-1-yl)(3,5-bis(trifluoromethyl)phenyl)methanone
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| Structure |
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| Formula |
C26H26F6N4O2
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| Molecular Weight |
540.508
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| Canonical SMILES |
CO/N=C(/C)CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1
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| InChI |
InChI=1S/C26H26F6N4O2/c1-16(34-38-2)14-35-7-8-36(21(15-35)11-18-13-33-23-6-4-3-5-22(18)23)24(37)17-9-19(25(27,28)29)12-20(10-17)26(30,31)32/h3-6,9-10,12-13,21,33H,7-8,11,14-15H2,1-2H3/b34-16-/t21-/m1/s1
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| InChIKey |
ZYXOHIFOHNDXGD-VOKJVERTSA-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