General Information of the Compound
| Compound ID |
CP0188713
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| Compound Name |
15-methylsulfonyl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
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| Structure |
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| Formula |
C19H19N5O4S
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| Molecular Weight |
413.459
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| Canonical SMILES |
CS(=O)(=O)c1ccc2OCCCCn3cnnc3-c3cccc(NC(=O)c2c1)n3
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| InChI |
InChI=1S/C19H19N5O4S/c1-29(26,27)13-7-8-16-14(11-13)19(25)22-17-6-4-5-15(21-17)18-23-20-12-24(18)9-2-3-10-28-16/h4-8,11-12H,2-3,9-10H2,1H3,(H,21,22,25)
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| InChIKey |
OFDCLFNYWAGEEP-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