General Information of the Compound
| Compound ID |
CP0149889
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| Compound Name |
6-(4-{[4-(2-oxo-2,3-dihydro-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]methyl}phenyl)-5-phenylpyridine-3-carbonitrile
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| Structure |
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| Formula |
C31H27N5O
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| Molecular Weight |
485.591
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| Canonical SMILES |
O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)C#N)CC1
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| InChI |
InChI=1S/C31H27N5O/c32-19-23-18-27(24-6-2-1-3-7-24)30(33-20-23)25-12-10-22(11-13-25)21-35-16-14-26(15-17-35)36-29-9-5-4-8-28(29)34-31(36)37/h1-13,18,20,26H,14-17,21H2,(H,34,37)
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| InChIKey |
GAUFULRKDWCITD-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