General Information of the Compound
| Compound ID |
CP0419608
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| Compound Name |
1-(4-(3-amino-1-(2-(diethylamino)ethoxy)-1H-indazol-4-yl)phenyl)-3-(2-fluoro-5-methylphenyl)urea
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| Structure |
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| Formula |
C27H31FN6O2
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| Molecular Weight |
490.583
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| Canonical SMILES |
CCN(CC)CCOn1nc(N)c2c(cccc12)-c1ccc(NC(=O)Nc2cc(C)ccc2F)cc1
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| InChI |
InChI=1S/C27H31FN6O2/c1-4-33(5-2)15-16-36-34-24-8-6-7-21(25(24)26(29)32-34)19-10-12-20(13-11-19)30-27(35)31-23-17-18(3)9-14-22(23)28/h6-14,17H,4-5,15-16H2,1-3H3,(H2,29,32)(H2,30,31,35)
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| InChIKey |
OWCONRLOJMQZQS-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