General Information of the Compound
| Compound ID |
CP0376459
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| Compound Name |
3-[3-(3-Acetyl-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 |
C34H37N5O3
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| Molecular Weight |
563.702
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| Canonical SMILES |
CC(=O)c1cccc(NC(=O)NC2(CCc3[nH]c4ccccc4c3C2)C(=O)NCC2(CCCCC2)c2ccccn2)c1
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| InChI |
InChI=1S/C34H37N5O3/c1-23(40)24-10-9-11-25(20-24)37-32(42)39-34(18-15-29-27(21-34)26-12-3-4-13-28(26)38-29)31(41)36-22-33(16-6-2-7-17-33)30-14-5-8-19-35-30/h3-5,8-14,19-20,38H,2,6-7,15-18,21-22H2,1H3,(H,36,41)(H2,37,39,42)
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| InChIKey |
SXYUELGERBZRSW-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