General Information of the Compound
| Compound ID |
CP0526104
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| Compound Name |
US9266876, 8
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| Structure |
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| Formula |
C22H19ClN8OS
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| Molecular Weight |
478.969
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| Canonical SMILES |
Clc1ccc2nc(CC(=O)N3CCN(CC3)c3scnc3-c3nc4ccccc4[nH]3)cn2n1
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| InChI |
InChI=1S/C22H19ClN8OS/c23-17-5-6-18-25-14(12-31(18)28-17)11-19(32)29-7-9-30(10-8-29)22-20(24-13-33-22)21-26-15-3-1-2-4-16(15)27-21/h1-6,12-13H,7-11H2,(H,26,27)
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| InChIKey |
LRGJNYMKVMLWMP-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