General Information of the Compound
| Compound ID |
CP0385254
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| Compound Name |
US10047103, 302
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| Structure |
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| Formula |
C31H29N5O5S2
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| Molecular Weight |
615.737
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N3CCC(C)CC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C31H29N5O5S2/c1-18-8-10-35(11-9-18)29(37)20-6-4-19(5-7-20)28-32-21(17-42-28)16-40-25-12-22(38-2)13-26-23(25)14-27(41-26)24-15-36-30(33-24)43-31(34-36)39-3/h4-7,12-15,17-18H,8-11,16H2,1-3H3
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| InChIKey |
URQGSWSILSANEB-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