General Information of the Compound
| Compound ID |
CP0515613
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-1H-indazol-3-amine
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| Structure |
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| Formula |
C20H22N4O2
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| Molecular Weight |
350.422
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| Canonical SMILES |
C(N1CCC(CC1)Nc1[nH]nc2ccccc12)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C20H22N4O2/c1-2-4-17-16(3-1)20(23-22-17)21-15-7-9-24(10-8-15)12-14-5-6-18-19(11-14)26-13-25-18/h1-6,11,15H,7-10,12-13H2,(H2,21,22,23)
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| InChIKey |
UIHIQWWXLGHZAK-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