General Information of the Compound
| Compound ID |
CP0954197
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| Compound Name |
2-(hydroxydiphenylmethyl)-N-((R)-2-hydroxypropyl)-1-(pyrrolidin-3-yl)-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C28H30N4O3
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| Molecular Weight |
470.573
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| Canonical SMILES |
C[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(C3CCNC3)c2c1
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| InChI |
InChI=1S/C28H30N4O3/c1-19(33)17-30-26(34)20-12-13-24-25(16-20)32(23-14-15-29-18-23)27(31-24)28(35,21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,16,19,23,29,33,35H,14-15,17-18H2,1H3,(H,30,34)/t19-,23?/m1/s1
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| InChIKey |
BYNNHMUAPTZCCL-HWYAHNCWSA-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