General Information of the Compound
| Compound ID |
CP0457128
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| Compound Name |
2-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin-1-yl]-N-(1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-acetamide
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| Structure |
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| Formula |
C30H33N5O2
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| Molecular Weight |
495.627
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| Canonical SMILES |
O=C(CN1CCC(CC1)n1c2ccccc2[nH]c1=O)NC1CCc2ccccc2C1Cc1cccnc1
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| InChI |
InChI=1S/C30H33N5O2/c36-29(20-34-16-13-23(14-17-34)35-28-10-4-3-9-27(28)33-30(35)37)32-26-12-11-22-7-1-2-8-24(22)25(26)18-21-6-5-15-31-19-21/h1-10,15,19,23,25-26H,11-14,16-18,20H2,(H,32,36)(H,33,37)
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| InChIKey |
ZKNCAYYYRHDGGY-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