General Information of the Compound
| Compound ID |
CP0902758
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| Compound Name |
(1R,5S,8r)-3-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-8-(pyrazin-2-yloxy)-3-azabicyclo[3.2.1]octane
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| Formula |
C16H21N5O3S
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| Molecular Weight |
363.443
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| Canonical SMILES |
Cc1n[nH]c(C)c1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[C@H]2Oc1cnccn1
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| InChI |
InChI=1S/C16H21N5O3S/c1-10-16(11(2)20-19-10)25(22,23)21-8-12-3-4-13(9-21)15(12)24-14-7-17-5-6-18-14/h5-7,12-13,15H,3-4,8-9H2,1-2H3,(H,19,20)/t12-,13+,15+
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| InChIKey |
TTWZYEUBJZEAAC-NHAGDIPZSA-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