General Information of the Compound
| Compound ID |
CP0908692
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| Compound Name |
SID87543362
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| Structure |
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| Formula |
C30H42F3N3O7S2
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| Molecular Weight |
677.808
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| Canonical SMILES |
C[C@@H]1CCCCO[C@H](CN(C)S(=O)(=O)c2cccs2)[C@H](C)CN([C@@H](C)CO)C(=O)c2cc(NC(=O)CCC(F)(F)F)ccc2O1
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| InChI |
InChI=1S/C30H42F3N3O7S2/c1-20-17-36(21(2)19-37)29(39)24-16-23(34-27(38)12-13-30(31,32)33)10-11-25(24)43-22(3)8-5-6-14-42-26(20)18-35(4)45(40,41)28-9-7-15-44-28/h7,9-11,15-16,20-22,26,37H,5-6,8,12-14,17-19H2,1-4H3,(H,34,38)/t20-,21+,22-,26-/m1/s1
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| InChIKey |
SZTCLWPGFGKRMN-UXGLMHHASA-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