General Information of the Compound
| Compound ID |
CP0539557
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| Compound Name |
3-[3-(2-Methyl-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 |
C33H36N6O4
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| Molecular Weight |
580.689
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| Canonical SMILES |
Cc1cc(ccc1NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CCCCC1)c1ccccn1)[N+]([O-])=O
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| InChI |
InChI=1S/C33H36N6O4/c1-22-19-23(39(42)43)12-13-26(22)37-31(41)38-33(17-14-28-25(20-33)24-9-3-4-10-27(24)36-28)30(40)35-21-32(15-6-2-7-16-32)29-11-5-8-18-34-29/h3-5,8-13,18-19,36H,2,6-7,14-17,20-21H2,1H3,(H,35,40)(H2,37,38,41)
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| InChIKey |
HBAZYEVCASKUKH-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