General Information of the Compound
| Compound ID |
CP0408059
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| Compound Name |
(3-fluoro-4-phenylphenyl) N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate
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| Structure |
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| Formula |
C27H28Cl2FN3O2
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| Molecular Weight |
516.444
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| Canonical SMILES |
Fc1cc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1-c1ccccc1
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| InChI |
InChI=1S/C27H28Cl2FN3O2/c28-23-9-6-10-25(26(23)29)33-17-15-32(16-18-33)14-5-4-13-31-27(34)35-21-11-12-22(24(30)19-21)20-7-2-1-3-8-20/h1-3,6-12,19H,4-5,13-18H2,(H,31,34)
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| InChIKey |
XJFQAYHTOHLUIP-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