General Information of the Compound
| Compound ID |
CP0514638
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| Compound Name |
US9029381, 21
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| Structure |
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| Formula |
C19H23N3O
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| Molecular Weight |
309.413
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| Canonical SMILES |
O=C([C@H]1CC1c1ccc(cc1)C#N)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C19H23N3O/c20-13-14-4-6-15(7-5-14)17-12-18(17)19(23)22-10-8-21(9-11-22)16-2-1-3-16/h4-7,16-18H,1-3,8-12H2/t17?,18-/m0/s1
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| InChIKey |
NXLUQWIKRBZQJH-ZVAWYAOSSA-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