General Information of the Compound
| Compound ID |
CP0338188
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| Compound Name |
2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N-methyl-2-[1-[(E)-3-(3,4,5-trifluorophenyl)prop-2-enoyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C31H35F3N4O2
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| Molecular Weight |
552.641
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| Canonical SMILES |
CNC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)c(F)c(F)c1
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| InChI |
InChI=1S/C31H35F3N4O2/c1-35-31(40)30(37-22-9-7-20(8-10-22)24-18-36-27-5-3-2-4-23(24)27)21-12-14-38(15-13-21)28(39)11-6-19-16-25(32)29(34)26(33)17-19/h2-6,11,16-18,20-22,30,36-37H,7-10,12-15H2,1H3,(H,35,40)/b11-6+
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| InChIKey |
AZVSLUBBYSIRII-IZZDOVSWSA-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