General Information of the Compound
| Compound ID |
CP0511413
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| Compound Name |
2-(3-(4-amino-3-(3-chloro-4-fluorophenyl)thieno[3,2-c]pyridin-7-yl)phenyl)acetamide
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| Structure |
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| Formula |
C21H15ClFN3OS
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| Molecular Weight |
411.889
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| Canonical SMILES |
NC(=O)Cc1cccc(c1)-c1cnc(N)c2c(csc12)-c1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C21H15ClFN3OS/c22-16-8-13(4-5-17(16)23)15-10-28-20-14(9-26-21(25)19(15)20)12-3-1-2-11(6-12)7-18(24)27/h1-6,8-10H,7H2,(H2,24,27)(H2,25,26)
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| InChIKey |
ZZIVBYYMVGFJPZ-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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