General Information of the Compound
| Compound ID |
CP0565900
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| Compound Name |
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
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| Structure |
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| Formula |
C23H25N3O3
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| Molecular Weight |
391.471
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| Canonical SMILES |
Cc1[nH]c2ccc(cc2c1C)C(=O)N1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C23H25N3O3/c1-15-16(2)24-20-5-4-18(12-19(15)20)23(27)26-9-7-25(8-10-26)13-17-3-6-21-22(11-17)29-14-28-21/h3-6,11-12,24H,7-10,13-14H2,1-2H3
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| InChIKey |
SPZIIVPHNHVCCV-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