General Information of the Compound
| Compound ID |
CP0960247
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| Compound Name |
2-(4-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-1H-indol-1-yl)-1-(piperazin-1-yl)ethan-1-one dihydrochloride
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| Structure |
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| Formula |
C21H24Cl2F3N5O2
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| Molecular Weight |
506.356
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| Canonical SMILES |
Cl.Cl.NCc1cc(Oc2cccc3c2ccn3CC(=O)N2CCNCC2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C21H22F3N5O2.2ClH/c22-21(23,24)18-10-14(12-25)11-19(27-18)31-17-3-1-2-16-15(17)4-7-29(16)13-20(30)28-8-5-26-6-9-28;;/h1-4,7,10-11,26H,5-6,8-9,12-13,25H2;2*1H
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| InChIKey |
UPDRMQRGMNVMKG-UHFFFAOYSA-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