General Information of the Compound
| Compound ID |
CP0063517
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| Compound Name |
4-(2-(5-chloro-1-(2-fluoroethyl)-1H-imidazol-4-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 |
C24H27ClFN7O2
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| Molecular Weight |
499.978
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| Canonical SMILES |
Cc1cc(cc2[nH]c(nc12)-c1c(NCCc2ncn(CCF)c2Cl)cc[nH]c1=O)N1CCOCC1
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| InChI |
InChI=1S/C24H27ClFN7O2/c1-15-12-16(32-8-10-35-11-9-32)13-19-21(15)31-23(30-19)20-17(2-6-28-24(20)34)27-5-3-18-22(25)33(7-4-26)14-29-18/h2,6,12-14H,3-5,7-11H2,1H3,(H,30,31)(H2,27,28,34)
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| InChIKey |
BMDWGBKTVZKYCM-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