General Information of the Compound
| Compound ID |
CP0471159
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| Compound Name |
2-[6-[4-[(2S)-butan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]-3H-isoindol-1-one
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| Structure |
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| Formula |
C19H19N5O
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| Molecular Weight |
333.395
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| Canonical SMILES |
CC[C@H](C)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O
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| InChI |
InChI=1S/C19H19N5O/c1-3-13(2)24-12-20-22-18(24)16-9-6-10-17(21-16)23-11-14-7-4-5-8-15(14)19(23)25/h4-10,12-13H,3,11H2,1-2H3/t13-/m0/s1
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| InChIKey |
MDNLGCOLKNCNIF-ZDUSSCGKSA-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