General Information of the Compound
| Compound ID |
CP0554951
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| Compound Name |
3-[3-(2,6-Diisopropyl-phenyl)-ureido]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid [1-(4-chloro-phenyl)-cyclopropylmethyl]-amide
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| Structure |
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| Formula |
C36H41ClN4O2
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| Molecular Weight |
597.203
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)NC1(CCc2[nH]c3ccccc3c2C1)C(=O)NCC1(CC1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C36H41ClN4O2/c1-22(2)26-9-7-10-27(23(3)4)32(26)40-34(43)41-36(17-16-31-29(20-36)28-8-5-6-11-30(28)39-31)33(42)38-21-35(18-19-35)24-12-14-25(37)15-13-24/h5-15,22-23,39H,16-21H2,1-4H3,(H,38,42)(H2,40,41,43)
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| InChIKey |
JLMMTJIRJIJPSW-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