General Information of the Compound
| Compound ID |
CP0392312
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| Compound Name |
1-{1-[3-(2-Chloro-5-methyl-phenoxy)-2-hydroxy-3-phenyl-propyl]-piperidin-4-yl}-1,3-dihydro-benzoimidazol-2-one
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| Structure |
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| Formula |
C28H30ClN3O3
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| Molecular Weight |
492.019
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| Canonical SMILES |
Cc1ccc(Cl)c(OC(C(O)CN2CCC(CC2)n2c3ccccc3[nH]c2=O)c2ccccc2)c1
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| InChI |
InChI=1S/C28H30ClN3O3/c1-19-11-12-22(29)26(17-19)35-27(20-7-3-2-4-8-20)25(33)18-31-15-13-21(14-16-31)32-24-10-6-5-9-23(24)30-28(32)34/h2-12,17,21,25,27,33H,13-16,18H2,1H3,(H,30,34)
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| InChIKey |
DDUYHDSZXXYGIS-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