General Information of the Compound
| Compound ID |
CP0453666
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)urea
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| Structure |
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| Formula |
C25H32ClFN4O
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| Molecular Weight |
459.009
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| Canonical SMILES |
CN1CCN(CCCN(C2CCc3ccccc3C2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
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| InChI |
InChI=1S/C25H32ClFN4O/c1-29-13-15-30(16-14-29)11-4-12-31(22-9-7-19-5-2-3-6-20(19)17-22)25(32)28-21-8-10-24(27)23(26)18-21/h2-3,5-6,8,10,18,22H,4,7,9,11-17H2,1H3,(H,28,32)
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| InChIKey |
YQIYAENRFJRKMN-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