General Information of the Compound
| Compound ID |
CP0309368
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| Compound Name |
N-[4-[2-[4-(propan-2-ylamino)phenoxy]-1,3-thiazol-5-yl]but-3-yn-2-yl]acetamide
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| Structure |
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| Formula |
C18H21N3O2S
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| Molecular Weight |
343.452
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| Canonical SMILES |
CC(C)Nc1ccc(Oc2ncc(s2)C#CC(C)NC(C)=O)cc1
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| InChI |
InChI=1S/C18H21N3O2S/c1-12(2)20-15-6-8-16(9-7-15)23-18-19-11-17(24-18)10-5-13(3)21-14(4)22/h6-9,11-13,20H,1-4H3,(H,21,22)
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| InChIKey |
KJNSCOGWEATUMZ-UHFFFAOYSA-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