General Information of the Compound
| Compound ID |
CP0491906
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| Compound Name |
US9266877, 145
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| Structure |
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| Formula |
C40H45N7O4S
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| Molecular Weight |
719.912
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| Canonical SMILES |
Cc1c(cnn1CC1(CCCC(C)(C)C1)N1CCOCC1)-c1ccc(nc1C(O)=O)N1CCc2cccc(C(=O)Nc3nc4ccccc4s3)c2C1
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| InChI |
InChI=1S/C40H45N7O4S/c1-26-30(22-41-47(26)25-40(46-18-20-51-21-19-46)16-7-15-39(2,3)24-40)28-12-13-34(43-35(28)37(49)50)45-17-14-27-8-6-9-29(31(27)23-45)36(48)44-38-42-32-10-4-5-11-33(32)52-38/h4-6,8-13,22H,7,14-21,23-25H2,1-3H3,(H,49,50)(H,42,44,48)
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| InChIKey |
FBNOTYUPKOESRP-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