General Information of the Compound
| Compound ID |
CP0490107
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| Compound Name |
US9133168, Example 46c
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| Structure |
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| Formula |
C19H19N5O3
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| Molecular Weight |
365.393
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)N1CCc2c1cccc2C#N
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| InChI |
InChI=1S/C19H19N5O3/c20-12-13-2-1-3-15-14(13)4-5-24(15)19(26)10-16-21-17(11-18(25)22-16)23-6-8-27-9-7-23/h1-3,11H,4-10H2,(H,21,22,25)
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| InChIKey |
KXMSOORLAUWKEE-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