General Information of the Compound
| Compound ID |
CP0445765
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| Compound Name |
[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(2-propan-2-yloxyphenyl)furan-2-yl]methanone
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| Structure |
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| Formula |
C30H36ClN3O4
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| Molecular Weight |
538.088
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| Canonical SMILES |
CC(C)Oc1ccccc1-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
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| InChI |
InChI=1S/C30H36ClN3O4/c1-21(2)36-26-6-4-3-5-24(26)27-9-10-29(38-27)30(35)34-17-15-33(16-18-34)20-22-7-8-28(25(31)19-22)37-23-11-13-32-14-12-23/h3-10,19,21,23,32H,11-18,20H2,1-2H3
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| InChIKey |
XQRIRXFOYKJRHF-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