General Information of the Compound
| Compound ID |
CP0902989
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| Compound Name |
2-(2-hydroxypropan-2-yl)-5-(2-methyl-3-(N-methylacrylamido)phenyl)-2,3,4,9-tetrahydro-1H-carbazole-8-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 |
C=CC(=O)N(C)c1cccc(-c2ccc(C(N)=O)c3[nH]c4c(c23)CCC(C(C)(C)O)C4)c1C
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| InChI |
InChI=1S/C27H31N3O3/c1-6-23(31)30(5)22-9-7-8-17(15(22)2)18-12-13-20(26(28)32)25-24(18)19-11-10-16(27(3,4)33)14-21(19)29-25/h6-9,12-13,16,29,33H,1,10-11,14H2,2-5H3,(H2,28,32)
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| InChIKey |
FPKTVYNIGHYTRC-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