General Information of the Compound
| Compound ID |
CP0184444
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| Compound Name |
Biphenylene-2-carboxylic acid {4-[4-(2,3-dichloro-phenyl)-piperazin-1-yl]-butyl}-amide
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| Structure |
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| Formula |
C27H27Cl2N3O
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| Molecular Weight |
480.439
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| Canonical SMILES |
Clc1cccc(N2CCN(CCCCNC(=O)c3ccc4-c5ccccc5-c4c3)CC2)c1Cl
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| InChI |
InChI=1S/C27H27Cl2N3O/c28-24-8-5-9-25(26(24)29)32-16-14-31(15-17-32)13-4-3-12-30-27(33)19-10-11-22-20-6-1-2-7-21(20)23(22)18-19/h1-2,5-11,18H,3-4,12-17H2,(H,30,33)
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| InChIKey |
JUXYQVLOCMVIJF-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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