General Information of the Compound
| Compound ID |
CP0514304
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| Compound Name |
4,5-dihydro-2H-benz[g]indazol-3-yl-(4-piperonylpiperazino)methanone
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| Structure |
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| Formula |
C24H24N4O3
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| Molecular Weight |
416.481
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| Canonical SMILES |
O=C(N1CCN(Cc2ccc3OCOc3c2)CC1)c1[nH]nc-2c1CCc1ccccc-21
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| InChI |
InChI=1S/C24H24N4O3/c29-24(23-19-7-6-17-3-1-2-4-18(17)22(19)25-26-23)28-11-9-27(10-12-28)14-16-5-8-20-21(13-16)31-15-30-20/h1-5,8,13H,6-7,9-12,14-15H2,(H,25,26)
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| InChIKey |
QTZBAQKHKZFAFU-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3