General Information of the Compound
| Compound ID |
CP0305359
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| Compound Name |
CHEMBL2392493
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| Formula |
C14H18N6O2S
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| Molecular Weight |
334.405
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| Canonical SMILES |
CC1(CCN(CC1)S(C)(=O)=O)n1nnc2cnc3[nH]ccc3c12
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| InChI |
InChI=1S/C14H18N6O2S/c1-14(4-7-19(8-5-14)23(2,21)22)20-12-10-3-6-15-13(10)16-9-11(12)17-18-20/h3,6,9H,4-5,7-8H2,1-2H3,(H,15,16)
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| InChIKey |
AATBKSLPLAFVJV-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