General Information of the Compound
| Compound ID |
CP0336940
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| Compound Name |
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C24H25N5O2
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| Molecular Weight |
415.497
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| Canonical SMILES |
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C24H25N5O2/c30-23(18-15-17-5-1-2-6-20(17)26-16-18)25-11-14-28-12-9-19(10-13-28)29-22-8-4-3-7-21(22)27-24(29)31/h1-8,15-16,19H,9-14H2,(H,25,30)(H,27,31)
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| InChIKey |
QYXQSMNQBJSTTJ-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
Protein ID: PT01943, Phospholipase D1
Protein ID: PT01153, Phospholipase D2