General Information of the Compound
| Compound ID |
CP0405630
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| Compound Name |
2-[4-[4-[4-(4-chloro-1H-pyrazol-5-yl)phenyl]-5-pyridin-4-yl-1H-imidazol-2-yl]phenoxy]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C27H25ClN6O
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| Molecular Weight |
484.991
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| Canonical SMILES |
CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccncc1)-c1ccc(cc1)-c1n[nH]cc1Cl
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| InChI |
InChI=1S/C27H25ClN6O/c1-34(2)15-16-35-22-9-7-21(8-10-22)27-31-25(26(32-27)20-11-13-29-14-12-20)19-5-3-18(4-6-19)24-23(28)17-30-33-24/h3-14,17H,15-16H2,1-2H3,(H,30,33)(H,31,32)
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| InChIKey |
GFKBRUVFRNQCJO-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