General Information of the Compound
| Compound ID |
CP0046700
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| Compound Name |
N-(4-chlorophenyl)-3-[3-(2,3-dihydro-1H-tetrazol-5-ylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C22H26ClN7O2
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| Molecular Weight |
455.95
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| Canonical SMILES |
Clc1ccc(NC(=O)N2CCCC(CCC(=O)NC3=NNNN3)(C2)c2ccccc2)cc1
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| InChI |
InChI=1S/C22H26ClN7O2/c23-17-7-9-18(10-8-17)24-21(32)30-14-4-12-22(15-30,16-5-2-1-3-6-16)13-11-19(31)25-20-26-28-29-27-20/h1-3,5-10,28-29H,4,11-15H2,(H,24,32)(H2,25,26,27,31)
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| InChIKey |
PKPQLLBQJIRCMS-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