General Information of the Compound
| Compound ID |
CP0073467
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| Compound Name |
US10301272, Example 7/7
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| Formula |
C26H33Cl2N3O5S2
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| Molecular Weight |
602.606
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| Canonical SMILES |
CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N[C@H]2C[C@@H](C2)C(O)=O)c(Cl)c1Cl
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| InChI |
InChI=1S/C26H33Cl2N3O5S2/c1-26(2,3)31-38(35,36)19-10-9-17(20(27)21(19)28)22-18(11-14-7-5-4-6-8-14)30-24(37-22)23(32)29-16-12-15(13-16)25(33)34/h9-10,14-16,31H,4-8,11-13H2,1-3H3,(H,29,32)(H,33,34)/t15-,16-
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| InChIKey |
YYHHVJHYBVCDLG-WKILWMFISA-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