General Information of the Compound
| Compound ID |
CP0447843
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| Compound Name |
6-[[(2S)-4-methylmorpholin-2-yl]methoxy]-2-[6-(4-propan-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 |
C24H28N6O3
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| Molecular Weight |
448.527
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| Canonical SMILES |
CC(C)n1cnnc1-c1cccc(n1)N1Cc2ccc(OC[C@@H]3CN(C)CCO3)cc2C1=O
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| InChI |
InChI=1S/C24H28N6O3/c1-16(2)30-15-25-27-23(30)21-5-4-6-22(26-21)29-12-17-7-8-18(11-20(17)24(29)31)33-14-19-13-28(3)9-10-32-19/h4-8,11,15-16,19H,9-10,12-14H2,1-3H3/t19-/m0/s1
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| InChIKey |
NRGCVZHEQBOONX-IBGZPJMESA-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