General Information of the Compound
| Compound ID |
CP0384190
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| Compound Name |
(R)-2-(4-Fluoro-phenyl)-2-{1-[2-fluoro-3-(5-[1,2,4]triazol-4-yl-1H-indol-3-yl)-propyl]-piperidin-4-ylamino}-ethanol
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| Structure |
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| Formula |
C26H30F2N6O
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| Molecular Weight |
480.563
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| Canonical SMILES |
OC[C@H](NC1CCN(CC(F)Cc2c[nH]c3ccc(cc23)-n2cnnc2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H30F2N6O/c27-20-3-1-18(2-4-20)26(15-35)32-22-7-9-33(10-8-22)14-21(28)11-19-13-29-25-6-5-23(12-24(19)25)34-16-30-31-17-34/h1-6,12-13,16-17,21-22,26,29,32,35H,7-11,14-15H2/t21?,26-/m0/s1
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| InChIKey |
VPZGVIBJHBLZSH-UQTORGHUSA-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