General Information of the Compound
| Compound ID |
CP0919976
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| Compound Name |
1-(4-(1-cyclohexyl-1-phenylprop-2-en-2-ylamino)piperidin-1-yl)-3-(pyridin-3-yl)propan-1-one
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| Structure |
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| Formula |
C27H36ClN3O2
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| Molecular Weight |
470.057
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| Canonical SMILES |
Cl.O=C(NC1CCN(C(=O)CCc2cccnc2)CC1)C(c1ccccc1)C1CCCCC1
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| InChI |
InChI=1S/C27H35N3O2.ClH/c31-25(14-13-21-8-7-17-28-20-21)30-18-15-24(16-19-30)29-27(32)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23;/h1,3-4,7-10,17,20,23-24,26H,2,5-6,11-16,18-19H2,(H,29,32);1H
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| InChIKey |
RMYOUZHKDVJBBU-UHFFFAOYSA-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