General Information of the Compound
| Compound ID |
CP0520189
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| Compound Name |
3-[3-(4-Nitro-phenyl)-ureido]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid (2-methyl-2-pyridin-2-yl-propyl)-amide
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| Structure |
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| Formula |
C29H30N6O4
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| Molecular Weight |
526.597
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| Canonical SMILES |
CC(C)(CNC(=O)C1(CCc2[nH]c3ccccc3c2C1)NC(=O)Nc1ccc(cc1)[N+]([O-])=O)c1ccccn1
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| InChI |
InChI=1S/C29H30N6O4/c1-28(2,25-9-5-6-16-30-25)18-31-26(36)29(34-27(37)32-19-10-12-20(13-11-19)35(38)39)15-14-24-22(17-29)21-7-3-4-8-23(21)33-24/h3-13,16,33H,14-15,17-18H2,1-2H3,(H,31,36)(H2,32,34,37)
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| InChIKey |
ZNVLQKJHCMGJII-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