General Information of the Compound
| Compound ID |
CP0013947
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| Compound Name |
(S)No FitN-(2-hydroxy-3-(isoindolin-2-yl)propyl)-2-phenoxyacetamide
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
O[C@@H](CNC(=O)COc1cccc2cccnc12)CN1Cc2ccccc2C1
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| InChI |
InChI=1S/C22H23N3O3/c26-19(14-25-12-17-5-1-2-6-18(17)13-25)11-24-21(27)15-28-20-9-3-7-16-8-4-10-23-22(16)20/h1-10,19,26H,11-15H2,(H,24,27)/t19-/m0/s1
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| InChIKey |
DOONEOBBMQKESC-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