General Information of the Compound
| Compound ID |
CP0885987
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| Compound Name |
(3R)-1-cyclohexyl-3-(4-phenyl-1H-imidazol-2-yl)-1,3,4,9-tetrahydropyrano[3,4-b]indole
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| Structure |
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| Formula |
C26H27N3O
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| Molecular Weight |
397.522
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| Canonical SMILES |
c1ccc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)O3)n2)cc1
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| InChI |
InChI=1S/C26H27N3O/c1-3-9-17(10-4-1)22-16-27-26(29-22)23-15-20-19-13-7-8-14-21(19)28-24(20)25(30-23)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,16,18,23,25,28H,2,5-6,11-12,15H2,(H,27,29)/t23-,25?/m1/s1
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| InChIKey |
PBHBFGOSBVFTKA-XQZUBTRRSA-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