General Information of the Compound
| Compound ID |
CP0354959
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| Compound Name |
[5-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-phenyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C28H32N4O3
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| Molecular Weight |
472.589
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| Canonical SMILES |
O=C(N1CCCCC1)c1c2CC(CCc2nn1-c1ccccc1)NCCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C28H32N4O3/c33-28(31-15-5-2-6-16-31)27-23-18-21(10-11-24(23)30-32(27)22-7-3-1-4-8-22)29-14-13-20-9-12-25-26(17-20)35-19-34-25/h1,3-4,7-9,12,17,21,29H,2,5-6,10-11,13-16,18-19H2
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| InChIKey |
KRUXANLFCJDAMX-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