General Information of the Compound
| Compound ID |
CP0856882
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| Compound Name |
SID87541998
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| Structure |
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| Formula |
C36H47FN4O8S
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| Molecular Weight |
714.857
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| Canonical SMILES |
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(F)cc2)OCCCC[C@H](C)O3)cc1
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| InChI |
InChI=1S/C36H47FN4O8S/c1-24-21-41(25(2)23-42)35(43)32-20-29(39-50(45,46)31-16-14-30(47-5)15-17-31)13-18-33(32)49-26(3)8-6-7-19-48-34(24)22-40(4)36(44)38-28-11-9-27(37)10-12-28/h9-18,20,24-26,34,39,42H,6-8,19,21-23H2,1-5H3,(H,38,44)/t24-,25-,26-,34+/m0/s1
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| InChIKey |
OBZCLBIQAQDRDY-NAJARDBOSA-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