General Information of the Compound
| Compound ID |
CP0531978
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| Compound Name |
3-[3-(4-Nitro-phenyl)-ureido]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (1-pyridin-2-yl-cyclohexylmethyl)-amide
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| Structure |
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| Formula |
C32H34N6O4
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| Molecular Weight |
566.662
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| Canonical SMILES |
[O-][N+](=O)c1ccc(NC(=O)NC2(CCc3[nH]c4ccccc4c3C2)C(=O)NCC2(CCCCC2)c2ccccn2)cc1
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| InChI |
InChI=1S/C32H34N6O4/c39-29(34-21-31(16-5-1-6-17-31)28-10-4-7-19-33-28)32(37-30(40)35-22-11-13-23(14-12-22)38(41)42)18-15-27-25(20-32)24-8-2-3-9-26(24)36-27/h2-4,7-14,19,36H,1,5-6,15-18,20-21H2,(H,34,39)(H2,35,37,40)
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| InChIKey |
LNWYZIQXVVDVCR-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