General Information of the Compound
| Compound ID |
CP0466492
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| Compound Name |
US8901315, 261
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| Structure |
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| Formula |
C20H22N6O3S
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| Molecular Weight |
426.502
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| Canonical SMILES |
Cc1nn(C2CCOCC2)c2sc(cc12)C(=O)Nc1ccc(nc1)N1CCNC1=O
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| InChI |
InChI=1S/C20H22N6O3S/c1-12-15-10-16(30-19(15)26(24-12)14-4-8-29-9-5-14)18(27)23-13-2-3-17(22-11-13)25-7-6-21-20(25)28/h2-3,10-11,14H,4-9H2,1H3,(H,21,28)(H,23,27)
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| InChIKey |
CWXBOHWOZKONRP-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