General Information of the Compound
| Compound ID |
CP0462130
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| Compound Name |
7-(2-hydroxypropan-2-yl)-4-[3-[(prop-2-enoylamino)methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
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| Structure |
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| Formula |
C26H29N3O3
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| Molecular Weight |
431.536
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| Canonical SMILES |
CC(C)(O)C1CCc2c(C1)[nH]c1c(ccc(-c3cccc(CNC(=O)C=C)c3)c21)C(N)=O
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| InChI |
InChI=1S/C26H29N3O3/c1-4-22(30)28-14-15-6-5-7-16(12-15)18-10-11-20(25(27)31)24-23(18)19-9-8-17(26(2,3)32)13-21(19)29-24/h4-7,10-12,17,29,32H,1,8-9,13-14H2,2-3H3,(H2,27,31)(H,28,30)
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| InChIKey |
CRSVKQFFZPGSSV-UHFFFAOYSA-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