General Information of the Compound
| Compound ID |
CP0400202
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| Compound Name |
5-chloro-1-methyl-N-[[6-(1-methylpiperidin-4-yl)sulfonyl-1,3-benzothiazol-2-yl]carbamoyl]-2,3-dihydroindole-6-carboxamide
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| Structure |
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| Formula |
C24H26ClN5O4S2
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| Molecular Weight |
548.09
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| Canonical SMILES |
CN1CCc2cc(Cl)c(cc12)C(=O)NC(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)C1CCN(C)CC1
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| InChI |
InChI=1S/C24H26ClN5O4S2/c1-29-8-6-15(7-9-29)36(33,34)16-3-4-19-21(12-16)35-24(26-19)28-23(32)27-22(31)17-13-20-14(11-18(17)25)5-10-30(20)2/h3-4,11-13,15H,5-10H2,1-2H3,(H2,26,27,28,31,32)
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| InChIKey |
UPCYNCGGAXOFLY-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