General Information of the Compound
| Compound ID |
CP0422246
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| Compound Name |
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(2-methyl-1,3-benzothiazol-6-yl)amino]-4-(propan-2-ylamino)pyridine-3-carboxamide
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| Structure |
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| Formula |
C22H28FN5O2S
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| Molecular Weight |
445.564
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| Canonical SMILES |
CC(C)Nc1cc(Nc2ccc3nc(C)sc3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
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| InChI |
InChI=1S/C22H28FN5O2S/c1-12(2)26-17-9-20(28-14-6-7-16-18(8-14)31-13(3)27-16)24-10-15(17)21(29)25-11-19(23)22(4,5)30/h6-10,12,19,30H,11H2,1-5H3,(H,25,29)(H2,24,26,28)/t19-/m1/s1
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| InChIKey |
QVXBJWIDBUXXFC-LJQANCHMSA-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