General Information of the Compound
| Compound ID |
CP0334446
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| Compound Name |
(6R)-N-[4-(cyanomethylamino)-4-oxobutyl]-N,9-dimethyl-6-(oxan-4-yl)-5,6,7,8-tetrahydrocarbazole-3-carboxamide
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| Structure |
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| Formula |
C26H34N4O3
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| Molecular Weight |
450.583
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| Canonical SMILES |
CN(CCCC(=O)NCC#N)C(=O)c1ccc2n(C)c3CC[C@H](Cc3c2c1)C1CCOCC1
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| InChI |
InChI=1S/C26H34N4O3/c1-29(13-3-4-25(31)28-12-11-27)26(32)20-6-8-24-22(17-20)21-16-19(5-7-23(21)30(24)2)18-9-14-33-15-10-18/h6,8,17-19H,3-5,7,9-10,12-16H2,1-2H3,(H,28,31)/t19-/m1/s1
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| InChIKey |
GUNCOSCOXDDNME-LJQANCHMSA-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