General Information of the Compound
| Compound ID |
CP0518238
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| Compound Name |
3-[3-(4-Nitro-phenyl)-ureido]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (1,1-dioxo-4-pyridin-2-yl-hexahydro-1lambda*6*-thiopyran-4-ylmethyl)-amide
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| Structure |
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| Formula |
C31H32N6O6S
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| Molecular Weight |
616.7
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=O)NC2(CCc3[nH]c4ccccc4c3C2)C(=O)NCC2(CCS(=O)(=O)CC2)c2ccccn2)cc1
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| InChI |
InChI=1S/C31H32N6O6S/c38-28(33-20-30(27-7-3-4-16-32-27)14-17-44(42,43)18-15-30)31(36-29(39)34-21-8-10-22(11-9-21)37(40)41)13-12-26-24(19-31)23-5-1-2-6-25(23)35-26/h1-11,16,35H,12-15,17-20H2,(H,33,38)(H2,34,36,39)
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| InChIKey |
ZBWXVZRLDRIDFW-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