General Information of the Compound
| Compound ID |
CP0959022
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| Compound Name |
(R)-2-(hydroxydiphenylmethyl)-N-(2-hydroxypropyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-benzo[d]imidazole-6-carboxamide
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| Structure |
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| Formula |
C29H31N3O4
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| Molecular Weight |
485.584
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| Canonical SMILES |
C[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(C3CCOCC3)c2c1
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| InChI |
InChI=1S/C29H31N3O4/c1-20(33)19-30-27(34)21-12-13-25-26(18-21)32(24-14-16-36-17-15-24)28(31-25)29(35,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,18,20,24,33,35H,14-17,19H2,1H3,(H,30,34)/t20-/m1/s1
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| InChIKey |
XQSFKPGNUYHVSL-HXUWFJFHSA-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