General Information of the Compound
| Compound ID |
CP0569124
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| Compound Name |
US9266877, 167
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| Structure |
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| Formula |
C40H45N7O6S2
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| Molecular Weight |
783.977
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| Canonical SMILES |
Cc1c(cnn1CC1(CCCCC1)OCCN1CCS(=O)(=O)CC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C40H45N7O6S2/c1-27-31(24-41-47(27)26-40(15-5-2-6-16-40)53-21-18-45-19-22-55(51,52)23-20-45)29-12-13-35(43-36(29)38(49)50)46-17-14-28-8-7-9-30(32(28)25-46)37(48)44-39-42-33-10-3-4-11-34(33)54-39/h3-4,7-13,24H,2,5-6,14-23,25-26H2,1H3,(H,49,50)(H,42,44,48)
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| InChIKey |
KYWJHTVSQLDUGT-UHFFFAOYSA-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