General Information of the Compound
| Compound ID |
CP0324486
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| Compound Name |
US9241942, 38-4
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| Formula |
C28H28N2O5S3
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| Molecular Weight |
568.742
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| Canonical SMILES |
COc1cc(cc(\C=N\CCSSCC\N=C\c2cc(cc(OC)c2O)-c2cccs2)c1O)-c1ccco1
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| InChI |
InChI=1S/C28H28N2O5S3/c1-33-24-15-19(23-5-3-9-35-23)13-21(27(24)31)17-29-7-11-37-38-12-8-30-18-22-14-20(26-6-4-10-36-26)16-25(34-2)28(22)32/h3-6,9-10,13-18,31-32H,7-8,11-12H2,1-2H3/b29-17+,30-18+
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| InChIKey |
ZQOTYYZCKSRTPP-YAGSLNJISA-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