General Information of the Compound
| Compound ID |
CP0036963
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| Compound Name |
4-(2-(4-chloro-3-methyl-1H-pyrazol-1-yl)ethylamino)-3-(4-methyl-6-morpholino-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
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| Structure |
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| Formula |
C23H26ClN7O2
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| Molecular Weight |
467.961
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| Canonical SMILES |
Cc1nn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(cc3[nH]2)N2CCOCC2)cc1Cl
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| InChI |
InChI=1S/C23H26ClN7O2/c1-14-11-16(30-7-9-33-10-8-30)12-19-21(14)28-22(27-19)20-18(3-4-26-23(20)32)25-5-6-31-13-17(24)15(2)29-31/h3-4,11-13H,5-10H2,1-2H3,(H,27,28)(H2,25,26,32)
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| InChIKey |
CEOXTUVGTVHTPZ-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