General Information of the Compound
| Compound ID |
CP0236183
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| Compound Name |
2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-[4-(trifluoromethoxy)phenyl]prop-2-enoyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C31H35F3N4O3
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| Molecular Weight |
568.64
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| Canonical SMILES |
NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc(OC(F)(F)F)cc1
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| InChI |
InChI=1S/C31H35F3N4O3/c32-31(33,34)41-24-12-5-20(6-13-24)7-14-28(39)38-17-15-22(16-18-38)29(30(35)40)37-23-10-8-21(9-11-23)26-19-36-27-4-2-1-3-25(26)27/h1-7,12-14,19,21-23,29,36-37H,8-11,15-18H2,(H2,35,40)/b14-7+
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| InChIKey |
STFZXNFAUSAZFQ-VGOFMYFVSA-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