General Information of the Compound
| Compound ID |
CP0302986
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| Compound Name |
4-cyano-5-(3,5-dichloropyridin-4-yl)sulfanyl-N-[4-[3-(dimethylamino)propoxy]phenyl]thiophene-2-carboxamide
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| Structure |
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| Formula |
C22H20Cl2N4O2S2
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| Molecular Weight |
507.468
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| Canonical SMILES |
CN(C)CCCOc1ccc(NC(=O)c2cc(C#N)c(Sc3c(Cl)cncc3Cl)s2)cc1
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| InChI |
InChI=1S/C22H20Cl2N4O2S2/c1-28(2)8-3-9-30-16-6-4-15(5-7-16)27-21(29)19-10-14(11-25)22(31-19)32-20-17(23)12-26-13-18(20)24/h4-7,10,12-13H,3,8-9H2,1-2H3,(H,27,29)
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| InChIKey |
GWIKNAKBVWBXMY-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