General Information of the Compound
| Compound ID |
CP0517638
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| Compound Name |
[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
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| Structure |
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| Formula |
C28H32ClN3O4
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| Molecular Weight |
510.034
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
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| InChI |
InChI=1S/C28H32ClN3O4/c1-34-22-5-3-21(4-6-22)25-8-9-27(36-25)28(33)32-16-14-31(15-17-32)19-20-2-7-26(24(29)18-20)35-23-10-12-30-13-11-23/h2-9,18,23,30H,10-17,19H2,1H3
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| InChIKey |
BDCFTJCCMRVHNB-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