General Information of the Compound
| Compound ID |
CP0436377
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| Compound Name |
7-(3-(3-chloro-4-fluorophenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)ureido)-N,N-dimethyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
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| Structure |
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| Formula |
C27H37ClFN5O3S
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| Molecular Weight |
566.143
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc2CCC(Cc2c1)N(CCCN1CCN(C)CC1)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C27H37ClFN5O3S/c1-31(2)38(36,37)24-9-6-20-5-8-23(17-21(20)18-24)34(12-4-11-33-15-13-32(3)14-16-33)27(35)30-22-7-10-26(29)25(28)19-22/h6-7,9-10,18-19,23H,4-5,8,11-17H2,1-3H3,(H,30,35)
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| InChIKey |
CJUIALFFVKEFNM-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