General Information of the Compound
| Compound ID |
CP0091493
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| Compound Name |
1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(4-fluoro-3-methylphenyl)urea
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| Structure |
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| Formula |
C21H18FN5O
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| Molecular Weight |
375.407
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| Canonical SMILES |
Cc1cc(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)ccc1F
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| InChI |
InChI=1S/C21H18FN5O/c1-12-11-15(9-10-17(12)22)25-21(28)24-14-7-5-13(6-8-14)16-3-2-4-18-19(16)20(23)27-26-18/h2-11H,1H3,(H3,23,26,27)(H2,24,25,28)
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| InChIKey |
HQPNLIKXAPLWBQ-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