General Information of the Compound
| Compound ID |
CP0532028
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| Compound Name |
N-[[4-methoxy-3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C27H29N3O4
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| Molecular Weight |
459.546
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| Canonical SMILES |
COc1ccc(CNC(=O)c2ccc3OCOc3c2)cc1-c1cccc(CN2CCNCC2)c1
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| InChI |
InChI=1S/C27H29N3O4/c1-32-24-7-5-19(16-29-27(31)22-6-8-25-26(15-22)34-18-33-25)14-23(24)21-4-2-3-20(13-21)17-30-11-9-28-10-12-30/h2-8,13-15,28H,9-12,16-18H2,1H3,(H,29,31)
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| InChIKey |
YMLDKXCNWFTSCB-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