General Information of the Compound
| Compound ID |
CP0541727
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| Compound Name |
2-[6-[4-[(2S)-1-hydroxypropan-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 |
C18H17N5O2
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| Molecular Weight |
335.367
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| Canonical SMILES |
C[C@@H](CO)n1cnnc1-c1cccc(n1)N1Cc2ccccc2C1=O
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| InChI |
InChI=1S/C18H17N5O2/c1-12(10-24)23-11-19-21-17(23)15-7-4-8-16(20-15)22-9-13-5-2-3-6-14(13)18(22)25/h2-8,11-12,24H,9-10H2,1H3/t12-/m0/s1
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| InChIKey |
UWTNXYBYBHTZRY-LBPRGKRZSA-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