General Information of the Compound
| Compound ID |
CP0949414
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| Compound Name |
SID104170839
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| Structure |
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| Formula |
C35H44F2N4O7S
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| Molecular Weight |
702.821
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| Canonical SMILES |
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2O[C@@H](C)CCCCO[C@H]1CN(C)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C35H44F2N4O7S/c1-23-20-41(24(2)22-42)34(43)31-19-29(39-35(44)38-28-12-8-26(36)9-13-28)14-17-32(31)48-25(3)7-5-6-18-47-33(23)21-40(4)49(45,46)30-15-10-27(37)11-16-30/h8-17,19,23-25,33,42H,5-7,18,20-22H2,1-4H3,(H2,38,39,44)/t23-,24-,25+,33+/m1/s1
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| InChIKey |
NMTQQMCQIMWYJL-OEDABOJWSA-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