General Information of the Compound
| Compound ID |
CP0522894
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| Compound Name |
1-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imidazol-1-yl)phenoxy)propyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C27H28FN5O2
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| Molecular Weight |
473.552
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| Canonical SMILES |
NC(=O)C1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1
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| InChI |
InChI=1S/C27H28FN5O2/c28-20-5-10-25-24(18-20)31-27(23-4-1-2-13-30-23)33(25)21-6-8-22(9-7-21)35-17-3-14-32-15-11-19(12-16-32)26(29)34/h1-2,4-10,13,18-19H,3,11-12,14-17H2,(H2,29,34)
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| InChIKey |
CDYYTBCHMDFDIN-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