General Information of the Compound
| Compound ID |
CP0505034
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| Compound Name |
1-[[1-(4-fluorophenyl)indazol-5-yl]methyl]-1-methyl-3,3-dipropylurea
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| Structure |
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| Formula |
C22H27FN4O
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| Molecular Weight |
382.483
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| Canonical SMILES |
CCCN(CCC)C(=O)N(C)Cc1ccc2n(ncc2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H27FN4O/c1-4-12-26(13-5-2)22(28)25(3)16-17-6-11-21-18(14-17)15-24-27(21)20-9-7-19(23)8-10-20/h6-11,14-15H,4-5,12-13,16H2,1-3H3
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| InChIKey |
ZMTBBWOKUQUMRJ-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