General Information of the Compound
| Compound ID |
CP0557297
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| Compound Name |
(3R,5R)-5-(6-tert-butyl-1H-benzimidazol-2-yl)pyrrolidin-3-ol
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| Structure |
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| Formula |
C15H21N3O
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| Molecular Weight |
259.353
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| Canonical SMILES |
CC(C)(C)c1ccc2[nH]c(nc2c1)[C@H]1C[C@@H](O)CN1
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| InChI |
InChI=1S/C15H21N3O/c1-15(2,3)9-4-5-11-12(6-9)18-14(17-11)13-7-10(19)8-16-13/h4-6,10,13,16,19H,7-8H2,1-3H3,(H,17,18)/t10-,13-/m1/s1
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| InChIKey |
VVASKFPNCQKNRH-ZWNOBZJWSA-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