General Information of the Compound
| Compound ID |
CP0573187
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| Compound Name |
CHEMBL4872118
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| Formula |
C70H99ClN6O10S
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| Molecular Weight |
1252.114
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| Canonical SMILES |
CN[C@H]1CC[C@@H](CC1)N(Cc1cccc(c1)-c1ccnc(OCCOCCOCCOCCn2cc(COCCOCCOCCCCCC[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/C70H99ClN6O10S/c1-68-28-24-57(78)46-53(68)16-21-58-60-22-23-63(69(60,2)29-25-61(58)68)70(3,80)27-9-5-6-10-32-81-34-36-84-40-41-86-49-55-48-76(75-74-55)31-33-82-35-37-83-38-39-85-42-43-87-64-45-52(26-30-73-64)51-13-11-12-50(44-51)47-77(56-19-17-54(72-4)18-20-56)67(79)66-65(71)59-14-7-8-15-62(59)88-66/h7-8,11-16,26,30,44-45,48,54,56-58,60-61,63,72,78,80H,5-6,9-10,17-25,27-29,31-43,46-47,49H2,1-4H3/t54-,56-,57-,58-,60-,61-,63?,68-,69-,70-/m0/s1
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| InChIKey |
RAFAEJWFPOYWKB-ZRGQZHORSA-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