General Information of the Compound
| Compound ID |
CP0442383
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1H-indazol-3-amine
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| Structure |
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| Formula |
C21H21F3N4O2
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| Molecular Weight |
418.419
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| Canonical SMILES |
FC(F)(F)c1ccc2[nH]nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
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| InChI |
InChI=1S/C21H21F3N4O2/c22-21(23,24)14-2-3-17-16(10-14)20(27-26-17)25-15-5-7-28(8-6-15)11-13-1-4-18-19(9-13)30-12-29-18/h1-4,9-10,15H,5-8,11-12H2,(H2,25,26,27)
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| InChIKey |
LUVJNTVKNCGKRN-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