General Information of the Compound
| Compound ID |
CP0557212
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| Compound Name |
US9266869, 36
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| Structure |
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| Formula |
C29H33N5O6S
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| Molecular Weight |
579.679
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| Canonical SMILES |
COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(c1)C(=O)Nc1cc(on1)C(C)(C)C
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| InChI |
InChI=1S/C29H33N5O6S/c1-29(2,3)23-17-24(33-40-23)32-27(36)21-10-8-9-19(15-21)12-13-20-16-22(18-31-26(20)30)28(37)34-41(5,38)14-7-6-11-25(35)39-4/h8-10,15-18H,6-7,11,14H2,1-5H3,(H2,30,31)(H,32,33,36)
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| InChIKey |
LFRLYJOQYBDOIR-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