General Information of the Compound
| Compound ID |
CP0540681
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| Compound Name |
US11304929, Example 05-004
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| Structure |
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| Formula |
C25H29ClN2O5S
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| Molecular Weight |
505.036
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| Canonical SMILES |
CC(C)OC(=O)C(C)S(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc2c(Cl)cc(C)cc2n1C
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| InChI |
InChI=1S/C25H29ClN2O5S/c1-14(2)33-25(30)17(5)34(31,32)19-9-7-18(8-10-19)16(4)27-24(29)23-13-20-21(26)11-15(3)12-22(20)28(23)6/h7-14,16-17H,1-6H3,(H,27,29)/t16-,17?/m1/s1
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| InChIKey |
RVOQVOWXOLUKPA-TZHYSIJRSA-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