General Information of the Compound
| Compound ID |
CP0342877
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| Compound Name |
US9266869, 12
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| Structure |
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| Formula |
C27H27N5O6S
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| Molecular Weight |
549.609
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| Canonical SMILES |
Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cc(cnc1N)C(=O)N=S(C)(=O)CC(=O)N1CC[C@H](O)C1
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| InChI |
InChI=1S/C27H27N5O6S/c1-17-9-11-38-24(17)27(36)30-21-5-3-4-18(12-21)6-7-19-13-20(14-29-25(19)28)26(35)31-39(2,37)16-23(34)32-10-8-22(33)15-32/h3-5,9,11-14,22,33H,8,10,15-16H2,1-2H3,(H2,28,29)(H,30,36)/t22-,39?/m0/s1
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| InChIKey |
BAGWIIZOJQFKIN-ORLSSACPSA-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