General Information of the Compound
| Compound ID |
CP0551241
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| Compound Name |
(2R,4R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-4-pyridin-4-ylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C21H27N3O2
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| Molecular Weight |
353.466
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| Canonical SMILES |
COc1cccc(c1)[C@@H](C)NC(=O)N1CC[C@H](C[C@H]1C)c1ccncc1
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| InChI |
InChI=1S/C21H27N3O2/c1-15-13-19(17-7-10-22-11-8-17)9-12-24(15)21(25)23-16(2)18-5-4-6-20(14-18)26-3/h4-8,10-11,14-16,19H,9,12-13H2,1-3H3,(H,23,25)/t15-,16-,19-/m1/s1
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| InChIKey |
VZCZWMCVWVMSHB-GPMSIDNRSA-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: PT01258, cGMP-dependent protein kinase 1
Protein ID: PT00890, Rho-associated protein kinase 2