General Information of the Compound
| Compound ID |
CP0079951
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| Compound Name |
1-(4-Amino-phenyl)-3-(3-benzo[1,3]dioxol-5-yl-4-oxo-2,4-dihydro-indeno[1,2-c]pyrazol-5-yl)-urea
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| Structure |
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| Formula |
C24H17N5O4
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| Molecular Weight |
439.431
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| Canonical SMILES |
Nc1ccc(NC(=O)Nc2cccc3-c4[nH]nc(c4C(=O)c23)-c2ccc3OCOc3c2)cc1
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| InChI |
InChI=1S/C24H17N5O4/c25-13-5-7-14(8-6-13)26-24(31)27-16-3-1-2-15-19(16)23(30)20-21(28-29-22(15)20)12-4-9-17-18(10-12)33-11-32-17/h1-10H,11,25H2,(H,28,29)(H2,26,27,31)
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| InChIKey |
ZXNFACJZSMSYCK-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