General Information of the Compound
| Compound ID |
CP0851534
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| Compound Name |
SID87543664
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| Structure |
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| Formula |
C35H46F3N5O8S
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| Molecular Weight |
753.841
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| Canonical SMILES |
Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)OCCCC[C@H](C)O2
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| InChI |
InChI=1S/C35H46F3N5O8S/c1-21-18-43(22(2)20-44)33(45)29-17-28(41-52(47,48)32-24(4)40-51-25(32)5)14-15-30(29)50-23(3)9-7-8-16-49-31(21)19-42(6)34(46)39-27-12-10-26(11-13-27)35(36,37)38/h10-15,17,21-23,31,41,44H,7-9,16,18-20H2,1-6H3,(H,39,46)/t21-,22-,23-,31+/m0/s1
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| InChIKey |
KOGXUCMRWOSHRU-UVOQVYJZSA-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