General Information of the Compound
| Compound ID |
CP0491241
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| Compound Name |
4-Phenyl-piperidine-1,4-dicarboxylic acid 1-adamantan-2-ylamide 4-amide
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| Structure |
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| Formula |
C23H31N3O2
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| Molecular Weight |
381.52
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| Canonical SMILES |
NC(=O)C1(CCN(CC1)C(=O)NC1C2CC3CC(C2)CC1C3)c1ccccc1
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| InChI |
InChI=1S/C23H31N3O2/c24-21(27)23(19-4-2-1-3-5-19)6-8-26(9-7-23)22(28)25-20-17-11-15-10-16(13-17)14-18(20)12-15/h1-5,15-18,20H,6-14H2,(H2,24,27)(H,25,28)
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| InChIKey |
ROBQAKGNZMCFDI-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