General Information of the Compound
| Compound ID |
CP0539968
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| Compound Name |
2-chloro-4-ethoxy-5-[(2R)-2-methylmorpholin-4-yl]-N-[[6-[(4-methylpiperazin-1-yl)methyl]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
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| Structure |
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| Formula |
C28H35ClN6O4S
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| Molecular Weight |
587.146
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1CCO[C@H](C)C1)C(=O)NC(=O)Nc1nc2ccc(CN3CCN(C)CC3)cc2s1
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| InChI |
InChI=1S/C28H35ClN6O4S/c1-4-38-24-15-21(29)20(14-23(24)35-11-12-39-18(2)16-35)26(36)31-27(37)32-28-30-22-6-5-19(13-25(22)40-28)17-34-9-7-33(3)8-10-34/h5-6,13-15,18H,4,7-12,16-17H2,1-3H3,(H2,30,31,32,36,37)/t18-/m1/s1
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| InChIKey |
OGELZENQJDICEW-GOSISDBHSA-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