General Information of the Compound
| Compound ID |
CP0419271
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| Compound Name |
US9200001, 40
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| Structure |
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| Formula |
C15H17N7S
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| Molecular Weight |
327.417
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(C)n1)C1CC1c1nnc(C)s1
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| InChI |
InChI=1S/C15H17N7S/c1-7-17-13(11-5-12(11)15-20-19-10(4)23-15)6-14(18-7)22-9(3)16-8(2)21-22/h6,11-12H,5H2,1-4H3
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| InChIKey |
ZCJVIWWSDNFKPN-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