General Information of the Compound
| Compound ID |
CP0384238
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| Compound Name |
5-amino-8-chloro-N-cyclopropyl-7-methyl-3-thia-1,10,11-triazatricyclo[7.3.0.02,6]dodeca-2(6),4,7,9,11-pentaene-4-carboxamide
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| Structure |
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| Formula |
C13H12ClN5OS
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| Molecular Weight |
321.793
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| Canonical SMILES |
Cc1c(Cl)c2nncn2c2sc(C(=O)NC3CC3)c(N)c12
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| InChI |
InChI=1S/C13H12ClN5OS/c1-5-7-9(15)10(12(20)17-6-2-3-6)21-13(7)19-4-16-18-11(19)8(5)14/h4,6H,2-3,15H2,1H3,(H,17,20)
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| InChIKey |
GJBTVOXIYOZSSI-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