General Information of the Compound
| Compound ID |
CP0508050
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| Compound Name |
3-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1,1-dipropylurea
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| Structure |
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| Formula |
C21H25FN4O
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| Molecular Weight |
368.456
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| Canonical SMILES |
CCCN(CCC)C(=O)NCc1ccc2n(ncc2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C21H25FN4O/c1-3-11-25(12-4-2)21(27)23-14-16-5-10-20-17(13-16)15-24-26(20)19-8-6-18(22)7-9-19/h5-10,13,15H,3-4,11-12,14H2,1-2H3,(H,23,27)
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| InChIKey |
BKYPFBBGDSHHFU-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