General Information of the Compound
| Compound ID |
CP0555449
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| Compound Name |
US10047103, 298
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| Structure |
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| Formula |
C29H25N5O6S2
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| Molecular Weight |
603.682
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(cc3)C(=O)N(C)C3COC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C29H25N5O6S2/c1-33(19-13-38-14-19)27(35)17-6-4-16(5-7-17)26-30-18(15-41-26)12-39-23-8-20(36-2)9-24-21(23)10-25(40-24)22-11-34-28(31-22)42-29(32-34)37-3/h4-11,15,19H,12-14H2,1-3H3
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| InChIKey |
VXUMLOSHMLPNKH-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