General Information of the Compound
| Compound ID |
CP0967231
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| Compound Name |
(1R,3r,5S)-8-(3,5-Dimethyl-1H-pyrazol-4-yl)sulfonyl)-3-(4-isopropylphenoxy)-8-azabicyclo[3.2.1]octane
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| Formula |
C21H29N3O3S
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| Molecular Weight |
403.548
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| Canonical SMILES |
Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(C(C)C)cc1)C2
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| InChI |
InChI=1S/C21H29N3O3S/c1-13(2)16-5-9-19(10-6-16)27-20-11-17-7-8-18(12-20)24(17)28(25,26)21-14(3)22-23-15(21)4/h5-6,9-10,13,17-18,20H,7-8,11-12H2,1-4H3,(H,22,23)/t17-,18+,20+
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| InChIKey |
NCUCHKLPCHVTRM-RUYXUALKSA-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