General Information of the Compound
| Compound ID |
CP0422244
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| Compound Name |
6-(1,3-benzothiazol-6-ylamino)-N-(3-hydroxypropyl)-4-(propan-2-ylamino)pyridine-3-carboxamide
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| Structure |
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| Formula |
C19H23N5O2S
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| Molecular Weight |
385.493
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| Canonical SMILES |
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1C(=O)NCCCO
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| InChI |
InChI=1S/C19H23N5O2S/c1-12(2)23-16-9-18(21-10-14(16)19(26)20-6-3-7-25)24-13-4-5-15-17(8-13)27-11-22-15/h4-5,8-12,25H,3,6-7H2,1-2H3,(H,20,26)(H2,21,23,24)
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| InChIKey |
MJRDUILKYBITAN-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