General Information of the Compound
| Compound ID |
CP0517507
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| Compound Name |
3-phenoxy-N-[[3-[3-(piperazin-1-ylmethyl)phenyl]phenyl]methyl]benzamide
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| Structure |
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| Formula |
C31H31N3O2
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| Molecular Weight |
477.608
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| Canonical SMILES |
O=C(NCc1cccc(c1)-c1cccc(CN2CCNCC2)c1)c1cccc(Oc2ccccc2)c1
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| InChI |
InChI=1S/C31H31N3O2/c35-31(28-11-6-14-30(21-28)36-29-12-2-1-3-13-29)33-22-24-7-4-9-26(19-24)27-10-5-8-25(20-27)23-34-17-15-32-16-18-34/h1-14,19-21,32H,15-18,22-23H2,(H,33,35)
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| InChIKey |
HICIQQCYTDKJQB-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