General Information of the Compound
| Compound ID |
CP0546391
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| Compound Name |
CHEMBL4863797
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| Formula |
C66H91ClN6O8S
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| Molecular Weight |
1164.008
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| Canonical SMILES |
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCn2cc(COCCCCCC[C@](C)(O)C3CC[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)nn2)c1)C(=O)c1sc2ccccc2c1Cl
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| InChI |
InChI=1S/C66H91ClN6O8S/c1-64-28-24-53(74)42-49(64)16-21-54-56-22-23-59(65(56,2)29-25-57(54)64)66(3,76)27-9-5-6-10-32-80-45-51-44-72(71-70-51)31-33-77-34-35-78-36-37-79-38-39-81-60-41-48(26-30-69-60)47-13-11-12-46(40-47)43-73(52-19-17-50(68-4)18-20-52)63(75)62-61(67)55-14-7-8-15-58(55)82-62/h7-8,11-16,26,30,40-41,44,50,52-54,56-57,59,68,74,76H,5-6,9-10,17-25,27-29,31-39,42-43,45H2,1-4H3/t50-,52-,53-,54-,56-,57-,59?,64-,65-,66-/m0/s1
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| InChIKey |
LJSIPMISZUHUER-MWILAZTRSA-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