General Information of the Compound
| Compound ID |
CP0436912
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-1-[7-(methanesulfonamido)-1,2,3,4-tetrahydronaphthalen-2-yl]-1-[3-(4-methylpiperazin-1-yl)propyl]urea
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| Structure |
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| Formula |
C26H35ClFN5O3S
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| Molecular Weight |
552.116
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| Canonical SMILES |
CN1CCN(CCCN(C2CCc3ccc(NS(C)(=O)=O)cc3C2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
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| InChI |
InChI=1S/C26H35ClFN5O3S/c1-31-12-14-32(15-13-31)10-3-11-33(26(34)29-21-7-9-25(28)24(27)18-21)23-8-5-19-4-6-22(16-20(19)17-23)30-37(2,35)36/h4,6-7,9,16,18,23,30H,3,5,8,10-15,17H2,1-2H3,(H,29,34)
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| InChIKey |
YTYIMMOQOXMONI-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