General Information of the Compound
| Compound ID |
CP0298024
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| Compound Name |
2-[1-[(E)-3-(3,4-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetamide
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| Structure |
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| Formula |
C30H34F2N4O2
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| Molecular Weight |
520.624
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| Canonical SMILES |
NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccc(F)c(F)c1
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| InChI |
InChI=1S/C30H34F2N4O2/c31-25-11-5-19(17-26(25)32)6-12-28(37)36-15-13-21(14-16-36)29(30(33)38)35-22-9-7-20(8-10-22)24-18-34-27-4-2-1-3-23(24)27/h1-6,11-12,17-18,20-22,29,34-35H,7-10,13-16H2,(H2,33,38)/b12-6+
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| InChIKey |
COKYMMANPAVKDA-WUXMJOGZSA-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