General Information of the Compound
| Compound ID |
CP0519043
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| Compound Name |
US8802711, 137
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| Structure |
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| Formula |
C20H21N3O
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| Molecular Weight |
319.408
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| Canonical SMILES |
O=C(N[C@@H]1CC[C@@H](C1)c1ccccc1)Nc1cccc2[nH]ccc12
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| InChI |
InChI=1S/C20H21N3O/c24-20(23-19-8-4-7-18-17(19)11-12-21-18)22-16-10-9-15(13-16)14-5-2-1-3-6-14/h1-8,11-12,15-16,21H,9-10,13H2,(H2,22,23,24)/t15-,16+/m0/s1
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| InChIKey |
UYSOXJBPQRLAAV-JKSUJKDBSA-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