General Information of the Compound
| Compound ID |
CP0481158
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| Compound Name |
3-[3-(4-Nitro-phenyl)-ureido]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (2-pyridin-2-yl-ethyl)-amide
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| Structure |
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| Formula |
C27H26N6O4
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| Molecular Weight |
498.543
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=O)NC2(CCc3[nH]c4ccccc4c3C2)C(=O)NCCc2ccccn2)cc1
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| InChI |
InChI=1S/C27H26N6O4/c34-25(29-16-13-18-5-3-4-15-28-18)27(32-26(35)30-19-8-10-20(11-9-19)33(36)37)14-12-24-22(17-27)21-6-1-2-7-23(21)31-24/h1-11,15,31H,12-14,16-17H2,(H,29,34)(H2,30,32,35)
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| InChIKey |
ASPCKHQVRZRSAQ-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