General Information of the Compound
| Compound ID |
CP0868701
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| Compound Name |
(R)-(2-((1H-indol-3-yl)methyl)-4-(2-(pyridin-2-ylmethoxyimino)propyl)piperazin-1-yl)(3,5-bis(trifluoromethyl)phenyl)methanone
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| Structure |
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| Formula |
C31H29F6N5O2
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| Molecular Weight |
617.594
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| Canonical SMILES |
C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCc1ccccn1
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| InChI |
InChI=1S/C31H29F6N5O2/c1-20(40-44-19-25-6-4-5-9-38-25)17-41-10-11-42(26(18-41)14-22-16-39-28-8-3-2-7-27(22)28)29(43)21-12-23(30(32,33)34)15-24(13-21)31(35,36)37/h2-9,12-13,15-16,26,39H,10-11,14,17-19H2,1H3/b40-20-/t26-/m1/s1
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| InChIKey |
GCBHRSJNRKIGLN-DBCLQSBCSA-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