General Information of the Compound
| Compound ID |
CP0570206
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| Compound Name |
2-chloro-4-ethoxy-N-[[6-[(4-methylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-yl]carbamoyl]-5-(1H-pyrazol-5-yl)benzamide
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| Structure |
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| Formula |
C26H28ClN7O3S
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| Molecular Weight |
554.076
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1-c1ccn[nH]1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1
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| InChI |
InChI=1S/C26H28ClN7O3S/c1-3-37-22-14-19(27)17(13-18(22)20-6-7-28-32-20)24(35)30-25(36)31-26-29-21-5-4-16(12-23(21)38-26)15-34-10-8-33(2)9-11-34/h4-7,12-14H,3,8-11,15H2,1-2H3,(H,28,32)(H2,29,30,31,35,36)
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| InChIKey |
SWSOKXHQEVAGRC-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