General Information of the Compound
| Compound ID |
CP0384111
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| Compound Name |
US9303045, 187
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| Structure |
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| Formula |
C18H19N3O3
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| Molecular Weight |
325.368
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| Canonical SMILES |
O=C(OC1CC2COCC(C1)N2)c1cn(CC#N)c2ccccc12
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| InChI |
InChI=1S/C18H19N3O3/c19-5-6-21-9-16(15-3-1-2-4-17(15)21)18(22)24-14-7-12-10-23-11-13(8-14)20-12/h1-4,9,12-14,20H,6-8,10-11H2
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| InChIKey |
KKQRXHVRAYJQNI-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