General Information of the Compound
| Compound ID |
CP0565653
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| Compound Name |
US8952008, 17
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| Structure |
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| Formula |
C21H18N4O2S
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| Molecular Weight |
390.468
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| Canonical SMILES |
CCn1cnc2c(cnnc12)-c1cccc(c1)-c1ccc2c(CCS2(=O)=O)c1
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| InChI |
InChI=1S/C21H18N4O2S/c1-2-25-13-22-20-18(12-23-24-21(20)25)16-5-3-4-14(10-16)15-6-7-19-17(11-15)8-9-28(19,26)27/h3-7,10-13H,2,8-9H2,1H3
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| InChIKey |
XXVFFMJLOKOSQM-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