General Information of the Compound
| Compound ID |
CP0504523
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| Compound Name |
(R)-N-(2-oxo-2-(1-(2-(1-(4-(trifluoromethyl)benzoyl)piperidin-4-yl)ethyl)pyrrolidin-3-ylamino)ethyl)-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C29H32F6N4O3
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| Molecular Weight |
598.588
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| Canonical SMILES |
FC(F)(F)c1ccc(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/C29H32F6N4O3/c30-28(31,32)22-6-4-20(5-7-22)27(42)39-14-9-19(10-15-39)8-12-38-13-11-24(18-38)37-25(40)17-36-26(41)21-2-1-3-23(16-21)29(33,34)35/h1-7,16,19,24H,8-15,17-18H2,(H,36,41)(H,37,40)/t24-/m1/s1
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| InChIKey |
ADJIIADSNIOSDG-XMMPIXPASA-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