General Information of the Compound
| Compound ID |
CP0180350
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| Compound Name |
US10301272, Example 6/28
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| Formula |
C29H36N4O5S2
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| Molecular Weight |
584.764
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ncc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c2ccccc12
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| InChI |
InChI=1S/C29H36N4O5S2/c1-29(2,3)33-40(37,38)27-21-12-8-7-11-20(21)22(16-30-27)24-23(13-17-9-5-4-6-10-17)32-26(39-24)25(34)31-19-14-18(15-19)28(35)36/h7-8,11-12,16-19,33H,4-6,9-10,13-15H2,1-3H3,(H,31,34)(H,35,36)/t18-,19-
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| InChIKey |
UOLHOHMCDXPLCY-WGSAOQKQSA-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