General Information of the Compound
| Compound ID |
CP0839308
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| Compound Name |
(3R)-1-cyclohexyl-3-(4-(pyrazin-2-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 |
C24H26N6
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| Molecular Weight |
398.514
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| Canonical SMILES |
c1ccc2c3c([nH]c2c1)C(C1CCCCC1)N[C@@H](c1nc(-c2cnccn2)c[nH]1)C3
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| InChI |
InChI=1S/C24H26N6/c1-2-6-15(7-3-1)22-23-17(16-8-4-5-9-18(16)28-23)12-19(29-22)24-27-14-21(30-24)20-13-25-10-11-26-20/h4-5,8-11,13-15,19,22,28-29H,1-3,6-7,12H2,(H,27,30)/t19-,22?/m1/s1
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| InChIKey |
WWPQWDGLQMWIGF-LCQOSCCDSA-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