General Information of the Compound
| Compound ID |
CP0533293
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| Compound Name |
N-[5-[[(3S,5S)-3-(2,6-dimethylpyridin-4-yl)oxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]methyl]-1,3-thiazol-2-yl]acetamide
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| Formula |
C20H26N4O3S
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| Molecular Weight |
402.52
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| Canonical SMILES |
CC(=O)Nc1ncc(CN2CC[C@]3(C[C@@H](CO3)Oc3cc(C)nc(C)c3)C2)s1
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| InChI |
InChI=1S/C20H26N4O3S/c1-13-6-16(7-14(2)22-13)27-17-8-20(26-11-17)4-5-24(12-20)10-18-9-21-19(28-18)23-15(3)25/h6-7,9,17H,4-5,8,10-12H2,1-3H3,(H,21,23,25)/t17-,20-/m0/s1
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| InChIKey |
XATWVFLWANERHD-PXNSSMCTSA-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