General Information of the Compound
| Compound ID |
CP0511758
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| Compound Name |
(3-methoxy-4-phenylphenyl) N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]carbamate
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| Structure |
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| Formula |
C28H31Cl2N3O3
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| Molecular Weight |
528.48
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| Canonical SMILES |
COc1cc(OC(=O)NCCCCN2CCN(CC2)c2cccc(Cl)c2Cl)ccc1-c1ccccc1
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| InChI |
InChI=1S/C28H31Cl2N3O3/c1-35-26-20-22(12-13-23(26)21-8-3-2-4-9-21)36-28(34)31-14-5-6-15-32-16-18-33(19-17-32)25-11-7-10-24(29)27(25)30/h2-4,7-13,20H,5-6,14-19H2,1H3,(H,31,34)
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| InChIKey |
KSBOWCQXLJULOX-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