General Information of the Compound
| Compound ID |
CP0577666
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| Compound Name |
CHEMBL5195729
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| Formula |
C42H47N5O8S
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| Molecular Weight |
781.932
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| Canonical SMILES |
CCN([C@H]1CC[C@@H](CC1)C(O)=O)S(=O)(=O)c1cccc(c1)C(=O)Nc1ccc(nc1C(=O)Nc1ccc(CCc2ccc(cc2)C(O)=O)cc1)N1CCCCC1
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| InChI |
InChI=1S/C42H47N5O8S/c1-2-47(34-21-17-31(18-22-34)42(52)53)56(54,55)35-8-6-7-32(27-35)39(48)44-36-23-24-37(46-25-4-3-5-26-46)45-38(36)40(49)43-33-19-13-29(14-20-33)10-9-28-11-15-30(16-12-28)41(50)51/h6-8,11-16,19-20,23-24,27,31,34H,2-5,9-10,17-18,21-22,25-26H2,1H3,(H,43,49)(H,44,48)(H,50,51)(H,52,53)/t31-,34-
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| InChIKey |
ZAMFPEKDJVOEJW-GGEMBVPQSA-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