General Information of the Compound
| Compound ID |
CP0436911
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| Compound Name |
1-(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)-3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)urea
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| Structure |
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| Formula |
C25H31BrClFN4O
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| Molecular Weight |
537.905
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| Canonical SMILES |
CN1CCN(CCCN(C2CCc3cc(Br)ccc3C2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
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| InChI |
InChI=1S/C25H31BrClFN4O/c1-30-11-13-31(14-12-30)9-2-10-32(25(33)29-21-6-8-24(28)23(27)17-21)22-7-4-18-15-20(26)5-3-19(18)16-22/h3,5-6,8,15,17,22H,2,4,7,9-14,16H2,1H3,(H,29,33)
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| InChIKey |
WRVVPUYJWISJIA-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