General Information of the Compound
| Compound ID |
CP0967553
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| Compound Name |
Trans-5-Chloro-N-[4-(3-ethyl-2-oxo-2,3-dihydro-imidazo[4,5-c]pyridin-1-ylmethyl)-cyclohexyl]-2-methyl-nicotinamide
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| Formula |
C22H26ClN5O2
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| Molecular Weight |
427.936
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| Canonical SMILES |
CCn1c(=O)n(C[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)c2ccncc21
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| InChI |
InChI=1S/C22H26ClN5O2/c1-3-27-20-12-24-9-8-19(20)28(22(27)30)13-15-4-6-17(7-5-15)26-21(29)18-10-16(23)11-25-14(18)2/h8-12,15,17H,3-7,13H2,1-2H3,(H,26,29)/t15-,17-
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| InChIKey |
ORXGZRCAMUJXAY-JCNLHEQBSA-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