General Information of the Compound
| Compound ID |
CP0504525
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| Compound Name |
(R)-N-(2-oxo-2-(1-(2-(1-(4-propylbenzoyl)piperidin-4-yl)ethyl)pyrrolidin-3-ylamino)ethyl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C31H39F3N4O3
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| Molecular Weight |
572.672
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| Canonical SMILES |
CCCc1ccc(cc1)C(=O)N1CCC(CCN2CC[C@H](C2)NC(=O)CNC(=O)c2cccc(c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C31H39F3N4O3/c1-2-4-22-7-9-24(10-8-22)30(41)38-17-12-23(13-18-38)11-15-37-16-14-27(21-37)36-28(39)20-35-29(40)25-5-3-6-26(19-25)31(32,33)34/h3,5-10,19,23,27H,2,4,11-18,20-21H2,1H3,(H,35,40)(H,36,39)/t27-/m1/s1
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| InChIKey |
DTMHFZMZLHWKDZ-HHHXNRCGSA-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