General Information of the Compound
| Compound ID |
CP0691633
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| Compound Name |
(3R)-1-cyclohexyl-3-(4-(pyridin-3-yl)-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
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| Structure |
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| Formula |
C25H27N5
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| Molecular Weight |
397.526
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| Canonical SMILES |
c1cncc(-c2c[nH]c([C@H]3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)c1
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| InChI |
InChI=1S/C25H27N5/c1-2-7-16(8-3-1)23-24-19(18-10-4-5-11-20(18)28-24)13-21(29-23)25-27-15-22(30-25)17-9-6-12-26-14-17/h4-6,9-12,14-16,21,23,28-29H,1-3,7-8,13H2,(H,27,30)/t21-,23?/m1/s1
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| InChIKey |
JBWFNUDNJAGOMY-FKHAVUOCSA-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