General Information of the Compound
| Compound ID |
CP0486527
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| Compound Name |
US10047103, 42
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| Structure |
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| Formula |
C30H29N5O5S2
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| Molecular Weight |
603.726
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C(C)C)-c3ccc(cc3)C(=O)N(C)C)cc(OC)cc2o1
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| InChI |
InChI=1S/C30H29N5O5S2/c1-16(2)26-22(31-27(41-26)17-7-9-18(10-8-17)28(36)34(3)4)15-39-23-11-19(37-5)12-24-20(23)13-25(40-24)21-14-35-29(32-21)42-30(33-35)38-6/h7-14,16H,15H2,1-6H3
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| InChIKey |
SVVQHWZAWGZLLM-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