General Information of the Compound
| Compound ID |
CP0395818
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| Compound Name |
MLS003107615
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| Structure |
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| Formula |
C35H47N5O8S
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| Molecular Weight |
697.855
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)N(CC#C)C[C@@H]1[C@@H](OC(=O)NCC2CCCCC2)[C@H](Cn2n1c(=O)ccc2=O)OC(=O)NCC1CCCCC1
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| InChI |
InChI=1S/C35H47N5O8S/c1-3-20-38(49(45,46)28-16-14-25(2)15-17-28)23-29-33(48-35(44)37-22-27-12-8-5-9-13-27)30(24-39-31(41)18-19-32(42)40(29)39)47-34(43)36-21-26-10-6-4-7-11-26/h1,14-19,26-27,29-30,33H,4-13,20-24H2,2H3,(H,36,43)(H,37,44)/t29-,30+,33-/m1/s1
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| InChIKey |
DFNSLLMEHMJSIV-YLJHYDRVSA-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06101, Latent membrane protein 1
Protein ID: PT06124, Paired box protein Pax-8