General Information of the Compound
| Compound ID |
CP0462192
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| Compound Name |
2-[6-[4-[(2R)-1-hydroxypropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]-6-(2-methoxyethoxy)-3H-isoindol-1-one
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| Structure |
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| Formula |
C21H23N5O4
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| Molecular Weight |
409.446
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| Canonical SMILES |
COCCOc1ccc2CN(C(=O)c2c1)c1cccc(n1)-c1nncn1[C@H](C)CO
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| InChI |
InChI=1S/C21H23N5O4/c1-14(12-27)26-13-22-24-20(26)18-4-3-5-19(23-18)25-11-15-6-7-16(30-9-8-29-2)10-17(15)21(25)28/h3-7,10,13-14,27H,8-9,11-12H2,1-2H3/t14-/m1/s1
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| InChIKey |
MVTXFSNDWXCZAL-CQSZACIVSA-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