General Information of the Compound
| Compound ID |
CP0940913
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| Compound Name |
(1R,3r,5S)-9-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-(pyrazin-2-yloxy)-9-azabicyclo[3.3.1]nonane
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| Formula |
C17H23N5O3S
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| Molecular Weight |
377.47
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| Canonical SMILES |
Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CCC[C@H]1C[C@@H](Oc1cnccn1)C2
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| InChI |
InChI=1S/C17H23N5O3S/c1-11-17(12(2)21-20-11)26(23,24)22-13-4-3-5-14(22)9-15(8-13)25-16-10-18-6-7-19-16/h6-7,10,13-15H,3-5,8-9H2,1-2H3,(H,20,21)/t13-,14+,15+
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| InChIKey |
YWQNYVSVMHJZAQ-FICVDOATSA-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