General Information of the Compound
| Compound ID |
CP0469372
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| Compound Name |
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methylprop-2-enoylamino)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
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| Structure |
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| Formula |
C27H31N3O3
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| Molecular Weight |
445.563
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| Canonical SMILES |
CC(=C)C(=O)Nc1cccc(c1C)-c1ccc(C(N)=O)c2[nH]c3CC(CCc3c12)C(C)(C)O
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| InChI |
InChI=1S/C27H31N3O3/c1-14(2)26(32)30-21-8-6-7-17(15(21)3)18-11-12-20(25(28)31)24-23(18)19-10-9-16(27(4,5)33)13-22(19)29-24/h6-8,11-12,16,29,33H,1,9-10,13H2,2-5H3,(H2,28,31)(H,30,32)
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| InChIKey |
DRPWODLTOCAOKC-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