General Information of the Compound
| Compound ID |
CP0401963
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| Compound Name |
[4-[(3-chloro-4-piperidin-4-yloxyphenyl)methyl]piperazin-1-yl]-[5-(3-nitrophenyl)furan-2-yl]methanone
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| Structure |
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| Formula |
C27H29ClN4O5
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| Molecular Weight |
525.005
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1ccc(o1)C(=O)N1CCN(Cc2ccc(OC3CCNCC3)c(Cl)c2)CC1
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| InChI |
InChI=1S/C27H29ClN4O5/c28-23-16-19(4-5-25(23)36-22-8-10-29-11-9-22)18-30-12-14-31(15-13-30)27(33)26-7-6-24(37-26)20-2-1-3-21(17-20)32(34)35/h1-7,16-17,22,29H,8-15,18H2
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| InChIKey |
VBDKUXNVUJGNOM-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