General Information of the Compound
| Compound ID |
CP0812567
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| Compound Name |
US8546380, 220::US8633188, 220
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| Structure |
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| Formula |
C17H17ClN4OS
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| Molecular Weight |
360.87
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| Canonical SMILES |
CC1(c2cccc(C(=O)Nc3ccc(Cl)cn3)c2)CCSC(N)=N1
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| InChI |
InChI=1S/C17H17ClN4OS/c1-17(7-8-24-16(19)22-17)12-4-2-3-11(9-12)15(23)21-14-6-5-13(18)10-20-14/h2-6,9-10H,7-8H2,1H3,(H2,19,22)(H,20,21,23)
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| InChIKey |
AKLATASKTPLNJX-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