General Information of the Compound
| Compound ID |
CP0455011
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| Compound Name |
N-[(1R,2S)-1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-hydroxyacetamide
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| Structure |
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| Formula |
C26H26FN3O3
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| Molecular Weight |
447.51
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| Canonical SMILES |
CCc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)CO
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| InChI |
InChI=1S/C26H26FN3O3/c1-3-18-4-6-19(7-5-18)26(17(2)29-25(32)16-31)33-23-12-13-24-20(14-23)15-28-30(24)22-10-8-21(27)9-11-22/h4-15,17,26,31H,3,16H2,1-2H3,(H,29,32)/t17-,26-/m0/s1
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| InChIKey |
PUXIVSQSRZVQCY-QLXKLKPCSA-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