General Information of the Compound
| Compound ID |
CP0573788
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| Compound Name |
US10047103, 238
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| Structure |
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| Formula |
C26H27N5O4S
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| Molecular Weight |
505.6
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| Canonical SMILES |
CCc1sc(nc1COc1cc(OC)cc2oc(cc12)-c1cn2nc(C)ccc2n1)N1CCOCC1
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| InChI |
InChI=1S/C26H27N5O4S/c1-4-24-20(28-26(36-24)30-7-9-33-10-8-30)15-34-21-11-17(32-3)12-22-18(21)13-23(35-22)19-14-31-25(27-19)6-5-16(2)29-31/h5-6,11-14H,4,7-10,15H2,1-3H3
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| InChIKey |
GKUNAFUZZXJXIS-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