General Information of the Compound
| Compound ID |
CP0119738
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| Compound Name |
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[2-(pyrrolidine-1-carbonyl)-1H-indol-7-yl]urea
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| Structure |
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| Formula |
C28H32N6O2
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| Molecular Weight |
484.604
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2cc([nH]c12)C(=O)N1CCCC1)C(C)(C)C
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| InChI |
InChI=1S/C28H32N6O2/c1-18-10-12-20(13-11-18)34-24(17-23(32-34)28(2,3)4)31-27(36)30-21-9-7-8-19-16-22(29-25(19)21)26(35)33-14-5-6-15-33/h7-13,16-17,29H,5-6,14-15H2,1-4H3,(H2,30,31,36)
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| InChIKey |
WJAXKYGJMHFGJA-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