General Information of the Compound
| Compound ID |
CP0533969
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| Compound Name |
[(2R)-1-[[4-[3-(cyclopentylmethyl)-2-methylbenzimidazol-5-yl]phenyl]methyl]pyrrolidin-2-yl]methanol
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| Structure |
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| Formula |
C26H33N3O
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| Molecular Weight |
403.57
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| Canonical SMILES |
Cc1nc2ccc(cc2n1CC1CCCC1)-c1ccc(CN2CCC[C@@H]2CO)cc1
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| InChI |
InChI=1S/C26H33N3O/c1-19-27-25-13-12-23(15-26(25)29(19)17-20-5-2-3-6-20)22-10-8-21(9-11-22)16-28-14-4-7-24(28)18-30/h8-13,15,20,24,30H,2-7,14,16-18H2,1H3/t24-/m1/s1
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| InChIKey |
PFTAYRSHZDFPPJ-XMMPIXPASA-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