General Information of the Compound
| Compound ID |
CP0529474
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| Compound Name |
US11304929, Example 01-011
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| Structure |
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| Formula |
C27H29ClN4O5S
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| Molecular Weight |
557.072
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| Canonical SMILES |
CC(C)OC(=O)CS(=O)(=O)c1ccc(cc1)[C@@H](C)NC(=O)c1cc2c(Cl)cc(cc2n1C)-c1cnn(C)c1
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| InChI |
InChI=1S/C27H29ClN4O5S/c1-16(2)37-26(33)15-38(35,36)21-8-6-18(7-9-21)17(3)30-27(34)25-12-22-23(28)10-19(11-24(22)32(25)5)20-13-29-31(4)14-20/h6-14,16-17H,15H2,1-5H3,(H,30,34)/t17-/m1/s1
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| InChIKey |
KWZGGJASGXKUBZ-QGZVFWFLSA-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