General Information of the Compound
| Compound ID |
CP0490554
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| Compound Name |
1-(4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-yl)-3,3-diphenylpropan-1-one
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| Structure |
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| Formula |
C26H24ClNO
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| Molecular Weight |
401.937
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| Canonical SMILES |
Clc1ccc(cc1)C1=CCN(CC1)C(=O)CC(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C26H24ClNO/c27-24-13-11-20(12-14-24)21-15-17-28(18-16-21)26(29)19-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-15,25H,16-19H2
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| InChIKey |
JNAUQUYERIQMKK-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