General Information of the Compound
| Compound ID |
CP0482054
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| Compound Name |
2-chloro-N-[[6-[3-(4-methylpiperazin-1-yl)propylsulfonyl]-1,3-benzothiazol-2-yl]carbamoyl]-3-pyrazol-1-ylbenzamide
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| Structure |
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| Formula |
C26H28ClN7O4S2
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| Molecular Weight |
602.142
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| Canonical SMILES |
CN1CCN(CCCS(=O)(=O)c2ccc3nc(NC(=O)NC(=O)c4cccc(c4Cl)-n4cccn4)sc3c2)CC1
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| InChI |
InChI=1S/C26H28ClN7O4S2/c1-32-12-14-33(15-13-32)10-4-16-40(37,38)18-7-8-20-22(17-18)39-26(29-20)31-25(36)30-24(35)19-5-2-6-21(23(19)27)34-11-3-9-28-34/h2-3,5-9,11,17H,4,10,12-16H2,1H3,(H2,29,30,31,35,36)
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| InChIKey |
UFRCVDBDVLJZBI-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