General Information of the Compound
| Compound ID |
CP0439616
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| Compound Name |
N-[(2S)-5-[3,5-bis(trifluoromethyl)phenyl]-1-(1H-indol-3-yl)-3-oxopentan-2-yl]-3-piperidin-4-ylpropanamide
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| Structure |
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| Formula |
C29H31F6N3O2
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| Molecular Weight |
567.574
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| Canonical SMILES |
FC(F)(F)c1cc(CCC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCC2CCNCC2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C29H31F6N3O2/c30-28(31,32)21-13-19(14-22(16-21)29(33,34)35)5-7-26(39)25(15-20-17-37-24-4-2-1-3-23(20)24)38-27(40)8-6-18-9-11-36-12-10-18/h1-4,13-14,16-18,25,36-37H,5-12,15H2,(H,38,40)/t25-/m0/s1
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| InChIKey |
UZAUACUHKJBFBZ-VWLOTQADSA-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