General Information of the Compound
| Compound ID |
CP0453669
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| Compound Name |
7-(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)ureido)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
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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 |
CNS(=O)(=O)c1ccc2CCC(Cc2c1)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C26H35ClFN5O3S/c1-29-37(35,36)23-8-5-19-4-7-22(16-20(19)17-23)33(11-3-10-32-14-12-31(2)13-15-32)26(34)30-21-6-9-25(28)24(27)18-21/h5-6,8-9,17-18,22,29H,3-4,7,10-16H2,1-2H3,(H,30,34)
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| InChIKey |
VXQKYBXFTGJBGX-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