General Information of the Compound
| Compound ID |
CP0398601
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| Compound Name |
[4-(1,4-dihydroindeno[1,2-c]pyrazol-6-yl)-5-pyridin-4-ylfuran-2-yl]-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
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| Structure |
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| Formula |
C28H30N6O2
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| Molecular Weight |
482.588
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| Canonical SMILES |
CN(C)CCN1CCN(CC1)C(=O)c1cc(c(o1)-c1ccncc1)-c1ccc-2c(Cc3cn[nH]c-23)c1
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| InChI |
InChI=1S/C28H30N6O2/c1-32(2)9-10-33-11-13-34(14-12-33)28(35)25-17-24(27(36-25)19-5-7-29-8-6-19)20-3-4-23-21(15-20)16-22-18-30-31-26(22)23/h3-8,15,17-18H,9-14,16H2,1-2H3,(H,30,31)
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| InChIKey |
ODARJJPHVIUCAP-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