General Information of the Compound
| Compound ID |
CP0474066
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| Compound Name |
N-[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C25H25N3O3
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| Molecular Weight |
415.493
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| Canonical SMILES |
O=C(Nc1cccc(c1)-c1cccc(CN2CCNCC2)c1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C25H25N3O3/c29-25(21-7-8-23-24(15-21)31-17-30-23)27-22-6-2-5-20(14-22)19-4-1-3-18(13-19)16-28-11-9-26-10-12-28/h1-8,13-15,26H,9-12,16-17H2,(H,27,29)
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| InChIKey |
GUHFKILYEZRVAS-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