General Information of the Compound
| Compound ID |
CP0512540
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| Compound Name |
US10047103, 88
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| Structure |
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| Formula |
C23H21N5O6S2
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| Molecular Weight |
527.584
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C=O)N3CCOCC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C23H21N5O6S2/c1-30-13-7-17(33-12-16-20(11-29)35-21(25-16)27-3-5-32-6-4-27)14-9-19(34-18(14)8-13)15-10-28-22(24-15)36-23(26-28)31-2/h7-11H,3-6,12H2,1-2H3
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| InChIKey |
NDLGGJGFWMAILW-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