General Information of the Compound
| Compound ID |
CP0332360
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| Compound Name |
2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]acetamide
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| Structure |
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| Formula |
C30H36N4O2
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| Molecular Weight |
484.644
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| Canonical SMILES |
NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1ccccc1
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| InChI |
InChI=1S/C30H36N4O2/c31-30(36)29(23-16-18-34(19-17-23)28(35)15-10-21-6-2-1-3-7-21)33-24-13-11-22(12-14-24)26-20-32-27-9-5-4-8-25(26)27/h1-10,15,20,22-24,29,32-33H,11-14,16-19H2,(H2,31,36)/b15-10+
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| InChIKey |
AULVCSFMTFTXKC-XNTDXEJSSA-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