General Information of the Compound
| Compound ID |
CP0547905
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| Compound Name |
1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-[2-[(2R)-piperidin-2-yl]phenyl]benzimidazole
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| Structure |
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| Formula |
C27H27Cl2N3O
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| Molecular Weight |
480.439
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| Canonical SMILES |
COc1ccc(Cl)c([C@@H](C)n2cnc3ccc(cc23)-c2ccccc2[C@H]2CCCCN2)c1Cl
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| InChI |
InChI=1S/C27H27Cl2N3O/c1-17(26-21(28)11-13-25(33-2)27(26)29)32-16-31-23-12-10-18(15-24(23)32)19-7-3-4-8-20(19)22-9-5-6-14-30-22/h3-4,7-8,10-13,15-17,22,30H,5-6,9,14H2,1-2H3/t17-,22-/m1/s1
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| InChIKey |
YFCMSHPEVDOMQA-VGOFRKELSA-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