General Information of the Compound
| Compound ID |
CP0868699
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| Compound Name |
(R)-(2-((1H-indol-3-yl)methyl)-4-(2-(2-(methylamino)ethoxyimino)propyl)piperazin-1-yl)(3,5-bis(trifluoromethyl)phenyl)methanone
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| Structure |
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| Formula |
C28H31F6N5O2
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| Molecular Weight |
583.577
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| Canonical SMILES |
CNCCO/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/C28H31F6N5O2/c1-18(37-41-10-7-35-2)16-38-8-9-39(23(17-38)13-20-15-36-25-6-4-3-5-24(20)25)26(40)19-11-21(27(29,30)31)14-22(12-19)28(32,33)34/h3-6,11-12,14-15,23,35-36H,7-10,13,16-17H2,1-2H3/b37-18-/t23-/m1/s1
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| InChIKey |
BLRGEKISNDSGSY-XIDPYBFFSA-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