General Information of the Compound
| Compound ID |
CP0506335
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| Compound Name |
N-[[3-[3-(piperazine-1-carbonyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C26H25N3O4
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| Molecular Weight |
443.503
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| Canonical SMILES |
O=C(NCc1cccc(c1)-c1cccc(c1)C(=O)N1CCNCC1)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C26H25N3O4/c30-25(21-7-8-23-24(15-21)33-17-32-23)28-16-18-3-1-4-19(13-18)20-5-2-6-22(14-20)26(31)29-11-9-27-10-12-29/h1-8,13-15,27H,9-12,16-17H2,(H,28,30)
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| InChIKey |
CBXIVVZYUDSZRU-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