General Information of the Compound
| Compound ID |
CP0336182
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| Compound Name |
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[2-(2,7-diazaspiro[4.4]nonane-2-carbonyl)-1H-indol-7-yl]urea
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| Structure |
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| Formula |
C31H37N7O2
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| Molecular Weight |
539.684
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1cccc2cc([nH]c12)C(=O)N1CCC2(CCNC2)C1)C(C)(C)C
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| InChI |
InChI=1S/C31H37N7O2/c1-20-8-10-22(11-9-20)38-26(17-25(36-38)30(2,3)4)35-29(40)34-23-7-5-6-21-16-24(33-27(21)23)28(39)37-15-13-31(19-37)12-14-32-18-31/h5-11,16-17,32-33H,12-15,18-19H2,1-4H3,(H2,34,35,40)
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| InChIKey |
JNKHVJBHDOHETG-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