General Information of the Compound
| Compound ID |
CP0554604
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| Compound Name |
CHEMBL4859704
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| Formula |
C34H40N4O9S2
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| Molecular Weight |
712.847
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| Canonical SMILES |
COc1ccccc1[C@H](Cn1c2sc(c(C)c2c(=O)n(c1=O)C(C)(C)C(=O)NS(=O)(=O)C1(C)CC1)-c1ncco1)O[C@H]1C[C@@H]2CC[C@H](C1)O2
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| InChI |
InChI=1S/C34H40N4O9S2/c1-19-26-29(39)38(33(2,3)31(40)36-49(42,43)34(4)12-13-34)32(41)37(30(26)48-27(19)28-35-14-15-45-28)18-25(23-8-6-7-9-24(23)44-5)47-22-16-20-10-11-21(17-22)46-20/h6-9,14-15,20-22,25H,10-13,16-18H2,1-5H3,(H,36,40)/t20-,21+,22-,25-/m0/s1
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| InChIKey |
YTQGZCLSLYDLAP-MTQWNXOMSA-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