General Information of the Compound
| Compound ID |
CP0451748
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| Compound Name |
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]benzamide
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| Structure |
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| Formula |
C29H24FN3O2
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| Molecular Weight |
465.528
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| Canonical SMILES |
C[C@H](NC(=O)c1ccccc1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1
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| InChI |
InChI=1S/C29H24FN3O2/c1-20(32-29(34)22-10-6-3-7-11-22)28(21-8-4-2-5-9-21)35-26-16-17-27-23(18-26)19-31-33(27)25-14-12-24(30)13-15-25/h2-20,28H,1H3,(H,32,34)/t20-,28-/m0/s1
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| InChIKey |
PBVAUALHFQEWGB-MMTVBGGISA-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