General Information of the Compound
| Compound ID |
CP0419806
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| Compound Name |
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]acetamide
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| Structure |
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| Formula |
C26H26FN3O
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| Molecular Weight |
415.512
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| Canonical SMILES |
CC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H26FN3O/c1-18(31)28-17-26(2,3)25(19-7-5-4-6-8-19)20-9-14-24-21(15-20)16-29-30(24)23-12-10-22(27)11-13-23/h4-16,25H,17H2,1-3H3,(H,28,31)/t25-/m0/s1
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| InChIKey |
RTWXMWUXMPERDK-VWLOTQADSA-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