General Information of the Compound
| Compound ID |
CP0056638
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| Compound Name |
10-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-triene-2,9-dione
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| Structure |
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| Formula |
C17H20N4O2
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| Molecular Weight |
312.373
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| Canonical SMILES |
O=C1N(CCn2c3c1cccc3[nH]c2=O)[C@@H]1CN2CCC1CC2
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| InChI |
InChI=1S/C17H20N4O2/c22-16-12-2-1-3-13-15(12)21(17(23)18-13)9-8-20(16)14-10-19-6-4-11(14)5-7-19/h1-3,11,14H,4-10H2,(H,18,23)/t14-/m1/s1
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| InChIKey |
UWHBCOHEASCLEA-CQSZACIVSA-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