General Information of the Compound
| Compound ID |
CP0474557
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| Compound Name |
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-3-phenylprop-2-ynamide
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| Structure |
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| Formula |
C23H24N4O2
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| Molecular Weight |
388.471
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| Canonical SMILES |
O=C(NCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)C#Cc1ccccc1
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| InChI |
InChI=1S/C23H24N4O2/c28-22(11-10-18-6-2-1-3-7-18)24-14-17-26-15-12-19(13-16-26)27-21-9-5-4-8-20(21)25-23(27)29/h1-9,19H,12-17H2,(H,24,28)(H,25,29)
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| InChIKey |
ZCPAKJKFPGVKMN-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