General Information of the Compound
| Compound ID |
CP0530573
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| Compound Name |
US9200001, 105
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| Structure |
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| Formula |
C18H19N9S
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| Molecular Weight |
393.48
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| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(C)n1)[C@H]1C[C@@H]1c1nnc(s1)-c1ccn(C)n1
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| InChI |
InChI=1S/C18H19N9S/c1-9-20-15(8-16(21-9)27-11(3)19-10(2)24-27)12-7-13(12)17-22-23-18(28-17)14-5-6-26(4)25-14/h5-6,8,12-13H,7H2,1-4H3/t12-,13-/m0/s1
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| InChIKey |
GZOFQHUAWOEFEB-STQMWFEESA-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