General Information of the Compound
| Compound ID |
CP0118343
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| Compound Name |
US10562854, No. B5
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| Structure |
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| Formula |
C19H24N2O3
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| Molecular Weight |
328.412
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| Canonical SMILES |
OCC[C@H]1CCCN1Cc1ccn(Cc2ccccc2)c(=O)c1O
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| InChI |
InChI=1S/C19H24N2O3/c22-12-9-17-7-4-10-20(17)14-16-8-11-21(19(24)18(16)23)13-15-5-2-1-3-6-15/h1-3,5-6,8,11,17,22-23H,4,7,9-10,12-14H2/t17-/m1/s1
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| InChIKey |
MSVZUQFXRBMZGG-QGZVFWFLSA-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