General Information of the Compound
| Compound ID |
CP0541852
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| Compound Name |
US8901315, 277
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| Structure |
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| Formula |
C19H25N5O3S
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| Molecular Weight |
403.508
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| Canonical SMILES |
CN1CC(=O)N(CCNC(=O)c2cc3c(C)nn(C4CCCCC4)c3s2)C1=O
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| InChI |
InChI=1S/C19H25N5O3S/c1-12-14-10-15(28-18(14)24(21-12)13-6-4-3-5-7-13)17(26)20-8-9-23-16(25)11-22(2)19(23)27/h10,13H,3-9,11H2,1-2H3,(H,20,26)
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| InChIKey |
RVIAOSIUKPAVHB-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