General Information of the Compound
| Compound ID |
CP0881601
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| Compound Name |
SID87541743
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| Structure |
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| Formula |
C37H47F3N4O7S
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| Molecular Weight |
748.865
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| Canonical SMILES |
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc(C(F)(F)F)cc2)OCCCC[C@H](C)O3)cc1
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| InChI |
InChI=1S/C37H47F3N4O7S/c1-24-9-16-31(17-10-24)52(48,49)42-30-15-18-33-32(20-30)35(46)44(26(3)23-45)21-25(2)34(50-19-7-6-8-27(4)51-33)22-43(5)36(47)41-29-13-11-28(12-14-29)37(38,39)40/h9-18,20,25-27,34,42,45H,6-8,19,21-23H2,1-5H3,(H,41,47)/t25-,26-,27-,34+/m0/s1
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| InChIKey |
KOTALHGNILEDKF-CBUCOWSNSA-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