General Information of the Compound
| Compound ID |
CP0534627
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| Compound Name |
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C27H28FN3O2
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| Molecular Weight |
445.538
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| Canonical SMILES |
C[C@H](NC(=O)C(C)(C)C)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C27H28FN3O2/c1-18(30-26(32)27(2,3)4)25(19-8-6-5-7-9-19)33-23-14-15-24-20(16-23)17-29-31(24)22-12-10-21(28)11-13-22/h5-18,25H,1-4H3,(H,30,32)/t18-,25-/m0/s1
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| InChIKey |
JZIVIKFFTCIHGU-BVZFJXPGSA-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