General Information of the Compound
| Compound ID |
CP0279623
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| Compound Name |
3-(6-(4-((1R,4S)-5-oxa-2-aza-bicyclo[2.2.1]heptan-2-yl)piperidin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-((S)-2-(3-chlorophenyl)-2-hydroxyethylamino)pyridin-2(1H)-one
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| Structure |
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| Formula |
C31H35ClN6O3
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| Molecular Weight |
575.113
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| Canonical SMILES |
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCC(CC1)N1C[C@@H]2C[C@@H]1CO2
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| InChI |
InChI=1S/C31H35ClN6O3/c1-18-11-22(37-9-6-21(7-10-37)38-16-24-13-23(38)17-41-24)14-26-29(18)36-30(35-26)28-25(5-8-33-31(28)40)34-15-27(39)19-3-2-4-20(32)12-19/h2-5,8,11-12,14,21,23-24,27,39H,6-7,9-10,13,15-17H2,1H3,(H,35,36)(H2,33,34,40)/t23-,24+,27-/m1/s1
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| InChIKey |
LVOHHKIFPDWJJY-ONBPZOJHSA-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