General Information of the Compound
| Compound ID |
CP0169523
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| Compound Name |
1-[1-({4-[3-phenyl-5-(1H-1,2,3,4-tetrazol-5-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
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| Structure |
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| Formula |
C31H28N8O
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| Molecular Weight |
528.62
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| Canonical SMILES |
O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(cc2)-c2ncc(cc2-c2ccccc2)-c2nnn[nH]2)CC1
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| InChI |
InChI=1S/C31H28N8O/c40-31-33-27-8-4-5-9-28(27)39(31)25-14-16-38(17-15-25)20-21-10-12-23(13-11-21)29-26(22-6-2-1-3-7-22)18-24(19-32-29)30-34-36-37-35-30/h1-13,18-19,25H,14-17,20H2,(H,33,40)(H,34,35,36,37)
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| InChIKey |
INUGOQWCVGGZKS-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