General Information of the Compound
| Compound ID |
CP0119401
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| Compound Name |
US9266869, 31
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| Structure |
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| Formula |
C30H32N4O7S
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| Molecular Weight |
592.674
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| Canonical SMILES |
COC(=O)CCCCS(C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1
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| InChI |
InChI=1S/C30H32N4O7S/c1-39-25-14-13-22(18-26(25)40-2)29(36)33-24-9-7-8-20(16-24)11-12-21-17-23(19-32-28(21)31)30(37)34-42(4,38)15-6-5-10-27(35)41-3/h7-9,13-14,16-19H,5-6,10,15H2,1-4H3,(H2,31,32)(H,33,36)
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| InChIKey |
RDOPCBYTZLJSSR-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