General Information of the Compound
| Compound ID |
CP0224179
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| Compound Name |
US8541380, 22
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| Structure |
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| Formula |
C22H23ClN2O5S
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| Molecular Weight |
462.955
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| Canonical SMILES |
Cc1ccc(cc1)-c1nnc(Cc2cc(ccc2Cl)C2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)s1
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| InChI |
InChI=1S/C22H23ClN2O5S/c1-11-2-4-12(5-3-11)22-25-24-17(31-22)9-14-8-13(6-7-15(14)23)21-20(29)19(28)18(27)16(10-26)30-21/h2-8,16,18-21,26-29H,9-10H2,1H3/t16-,18-,19+,20-,21?/m1/s1
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| InChIKey |
BYDURFPUJLRIHU-MKJMBMEGSA-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