General Information of the Compound
| Compound ID |
CP0340235
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| Compound Name |
US9266869, 32
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| Structure |
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| Formula |
C27H28N4O6S
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| Molecular Weight |
536.61
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| Canonical SMILES |
COC(=O)CCCC[S@](C)(=O)=NC(=O)c1cnc(N)c(c1)C#Cc1cccc(NC(=O)c2occc2C)c1
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| InChI |
InChI=1S/C27H28N4O6S/c1-18-12-13-37-24(18)27(34)30-22-8-6-7-19(15-22)10-11-20-16-21(17-29-25(20)28)26(33)31-38(3,35)14-5-4-9-23(32)36-2/h6-8,12-13,15-17H,4-5,9,14H2,1-3H3,(H2,28,29)(H,30,34)/t38-/m0/s1
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| InChIKey |
SXGZAYZKUGJQPT-LHEWISCISA-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