General Information of the Compound
| Compound ID |
CP0563057
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| Compound Name |
CHEMBL4864719
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| Formula |
C33H40N6O8S2
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| Molecular Weight |
712.851
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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)-n1nccn1)O[C@H]1C[C@@H]2CC[C@H](C1)O2
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| InChI |
InChI=1S/C33H40N6O8S2/c1-19-26-27(40)38(32(2,3)30(41)36-49(43,44)33(4)12-13-33)31(42)37(29(26)48-28(19)39-34-14-15-35-39)18-25(23-8-6-7-9-24(23)45-5)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,36,41)/t20-,21+,22-,25-/m0/s1
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| InChIKey |
IBWCYIAZPLSWTR-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