General Information of the Compound
| Compound ID |
CP0567490
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| Compound Name |
5-[2-(1,3-benzodioxol-5-yl)ethylamino]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
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| Structure |
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| Formula |
C22H30N4O3
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| Molecular Weight |
398.507
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| Canonical SMILES |
CCCn1nc(C(=O)N(C)C)c2CC(CCc12)NCCc1ccc2OCOc2c1
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| InChI |
InChI=1S/C22H30N4O3/c1-4-11-26-18-7-6-16(13-17(18)21(24-26)22(27)25(2)3)23-10-9-15-5-8-19-20(12-15)29-14-28-19/h5,8,12,16,23H,4,6-7,9-11,13-14H2,1-3H3
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| InChIKey |
BZHDWIAQIBJLOJ-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