General Information of the Compound
| Compound ID |
CP0424180
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| Compound Name |
US9062059, 2-58
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| Structure |
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| Formula |
C19H21ClN6OS
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| Molecular Weight |
416.938
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| Canonical SMILES |
Cc1nnc(CNc2nc(C)nc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)c2Cl)s1
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| InChI |
InChI=1S/C19H21ClN6OS/c1-10-4-5-15(21-7-10)14-6-13(14)9-27-19-17(20)18(23-11(2)24-19)22-8-16-26-25-12(3)28-16/h4-5,7,13-14H,6,8-9H2,1-3H3,(H,22,23,24)/t13-,14+/m1/s1
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| InChIKey |
QDKKCDOWLNRECK-KGLIPLIRSA-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