General Information of the Compound
| Compound ID |
CP0565735
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| Compound Name |
US9434725, 110
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| Structure |
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| Formula |
C19H19N7S
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| Molecular Weight |
377.477
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| Canonical SMILES |
N[C@@H]1CCCN(C1)c1cccc(n1)-n1ncc2cnc(cc12)-c1cncs1
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| InChI |
InChI=1S/C19H19N7S/c20-14-3-2-6-25(11-14)18-4-1-5-19(24-18)26-16-7-15(17-10-21-12-27-17)22-8-13(16)9-23-26/h1,4-5,7-10,12,14H,2-3,6,11,20H2/t14-/m1/s1
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| InChIKey |
BQVZFNYKORVNKX-CQSZACIVSA-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