General Information of the Compound
| Compound ID |
CP0970033
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| Compound Name |
(1R,3r,5S)-8-((3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-(4-ethynylphenoxy)-8-azabicyclo[3.2.1]octane
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| Formula |
C19H22N4O3S
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| Molecular Weight |
386.477
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| Canonical SMILES |
Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C#N)cc1)C2
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| InChI |
InChI=1S/C19H22N4O3S/c1-12-19(13(2)22-21-12)27(24,25)23-15-5-6-16(23)10-18(9-15)26-17-7-3-14(11-20)4-8-17/h3-4,7-8,15-16,18H,5-6,9-10H2,1-2H3,(H,21,22)/t15-,16+,18+
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| InChIKey |
UTFRYHIBMXQGTR-VQFNDLOPSA-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