General Information of the Compound
| Compound ID |
CP0451749
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| Compound Name |
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-pyridin-3-ylpropan-2-yl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C25H23FN4O2
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| Molecular Weight |
430.483
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| Canonical SMILES |
C[C@H](NC(=O)C1CC1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1cccnc1
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| InChI |
InChI=1S/C25H23FN4O2/c1-16(29-25(31)17-4-5-17)24(18-3-2-12-27-14-18)32-22-10-11-23-19(13-22)15-28-30(23)21-8-6-20(26)7-9-21/h2-3,6-17,24H,4-5H2,1H3,(H,29,31)/t16-,24-/m0/s1
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| InChIKey |
KZCYBPPLLHCDNC-FYSMJZIKSA-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