General Information of the Compound
| Compound ID |
CP0516454
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| Compound Name |
2-chloro-4-ethoxy-N-[[5-(2-hydroxyacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoyl]-5-morpholin-4-ylbenzamide
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| Structure |
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| Formula |
C22H26ClN5O6S
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| Molecular Weight |
523.999
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| Canonical SMILES |
CCOc1cc(Cl)c(cc1N1CCOCC1)C(=O)NC(=O)Nc1nc2CCN(Cc2s1)C(=O)CO
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| InChI |
InChI=1S/C22H26ClN5O6S/c1-2-34-17-10-14(23)13(9-16(17)27-5-7-33-8-6-27)20(31)25-21(32)26-22-24-15-3-4-28(19(30)12-29)11-18(15)35-22/h9-10,29H,2-8,11-12H2,1H3,(H2,24,25,26,31,32)
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| InChIKey |
BSIKIUFVEUBCBU-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