General Information of the Compound
| Compound ID |
CP0238006
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| Compound Name |
2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-N,N-dimethyl-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 |
C32H37F3N4O2
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| Molecular Weight |
566.668
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| Canonical SMILES |
CN(C)C(=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/C32H37F3N4O2/c1-38(2)32(41)31(37-23-10-8-21(9-11-23)25-19-36-28-6-4-3-5-24(25)28)22-13-15-39(16-14-22)29(40)12-7-20-17-26(33)30(35)27(34)18-20/h3-7,12,17-19,21-23,31,36-37H,8-11,13-16H2,1-2H3/b12-7+
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| InChIKey |
FXQFHLWYGIPPLB-KPKJPENVSA-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