General Information of the Compound
| Compound ID |
CP0466723
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| Compound Name |
[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(3-phenylphenyl)furan-2-yl]methanone
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| Structure |
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| Formula |
C33H34ClN3O3
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| Molecular Weight |
556.106
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| Canonical SMILES |
Clc1cc(CN2CCN(CC2)C(=O)c2ccc(o2)-c2cccc(c2)-c2ccccc2)ccc1OC1CCNCC1
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| InChI |
InChI=1S/C33H34ClN3O3/c34-29-21-24(9-10-31(29)39-28-13-15-35-16-14-28)23-36-17-19-37(20-18-36)33(38)32-12-11-30(40-32)27-8-4-7-26(22-27)25-5-2-1-3-6-25/h1-12,21-22,28,35H,13-20,23H2
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| InChIKey |
JDZJYZOGPIYDOH-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