General Information of the Compound
| Compound ID |
CP0435213
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| Compound Name |
2-[[4-(cyclohexylmethoxy)-1H-benzimidazol-2-yl]methylamino]-3-phenylpropan-1-ol
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| Structure |
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| Formula |
C24H31N3O2
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| Molecular Weight |
393.531
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| Canonical SMILES |
OCC(Cc1ccccc1)NCc1nc2c(OCC3CCCCC3)cccc2[nH]1
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| InChI |
InChI=1S/C24H31N3O2/c28-16-20(14-18-8-3-1-4-9-18)25-15-23-26-21-12-7-13-22(24(21)27-23)29-17-19-10-5-2-6-11-19/h1,3-4,7-9,12-13,19-20,25,28H,2,5-6,10-11,14-17H2,(H,26,27)
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| InChIKey |
ZZBQFMULLSNPMI-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