General Information of the Compound
| Compound ID |
CP0526770
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| Compound Name |
N-[[3-[3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C28H31N3O3
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| Molecular Weight |
457.574
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| Canonical SMILES |
CN1CCCN(Cc2cccc(c2)-c2cccc(CNC(=O)c3ccc4OCOc4c3)c2)CC1
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| InChI |
InChI=1S/C28H31N3O3/c1-30-11-4-12-31(14-13-30)19-22-6-3-8-24(16-22)23-7-2-5-21(15-23)18-29-28(32)25-9-10-26-27(17-25)34-20-33-26/h2-3,5-10,15-17H,4,11-14,18-20H2,1H3,(H,29,32)
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| InChIKey |
GZOPBJVPTXYWRB-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