General Information of the Compound
| Compound ID |
CP0480331
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-4-methoxy-1H-indazol-3-amine
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| Structure |
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| Formula |
C21H24N4O3
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| Molecular Weight |
380.448
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| Canonical SMILES |
COc1cccc2[nH]nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c12
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| InChI |
InChI=1S/C21H24N4O3/c1-26-18-4-2-3-16-20(18)21(24-23-16)22-15-7-9-25(10-8-15)12-14-5-6-17-19(11-14)28-13-27-17/h2-6,11,15H,7-10,12-13H2,1H3,(H2,22,23,24)
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| InChIKey |
MFJNTQDZTLIDSP-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