General Information of the Compound
| Compound ID |
CP0529518
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| Compound Name |
2-methoxy-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
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| Structure |
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| Formula |
C26H29N3O2
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| Molecular Weight |
415.537
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| Canonical SMILES |
COc1ccccc1C(=O)NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1
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| InChI |
InChI=1S/C26H29N3O2/c1-31-25-11-3-2-10-24(25)26(30)28-18-20-6-4-8-22(16-20)23-9-5-7-21(17-23)19-29-14-12-27-13-15-29/h2-11,16-17,27H,12-15,18-19H2,1H3,(H,28,30)
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| InChIKey |
KAXFGZPRRJXVBS-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