General Information of the Compound
| Compound ID |
CP0532029
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| Compound Name |
N-[[2-methyl-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C27H29N3O3
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| Molecular Weight |
443.547
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| Canonical SMILES |
Cc1c(CNC(=O)c2ccc3OCOc3c2)cccc1-c1cccc(CN2CCNCC2)c1
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| InChI |
InChI=1S/C27H29N3O3/c1-19-23(16-29-27(31)22-8-9-25-26(15-22)33-18-32-25)6-3-7-24(19)21-5-2-4-20(14-21)17-30-12-10-28-11-13-30/h2-9,14-15,28H,10-13,16-18H2,1H3,(H,29,31)
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| InChIKey |
NENDOUAXXLHWFM-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