General Information of the Compound
| Compound ID |
CP0862247
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| Compound Name |
[3-(3-Carbamoylphenyl)phenyl]N-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butyl]carbamate Hydrochloride
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| Structure |
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| Formula |
C27H30Cl3N3O2
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| Molecular Weight |
534.915
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| Canonical SMILES |
Cl.O=C(NCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1cccc(-c2ccccc2)c1
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| InChI |
InChI=1S/C27H29Cl2N3O2.ClH/c28-24-12-7-13-25(26(24)29)32-18-16-31(17-19-32)15-5-4-14-30-27(33)34-23-11-6-10-22(20-23)21-8-2-1-3-9-21;/h1-3,6-13,20H,4-5,14-19H2,(H,30,33);1H
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| InChIKey |
UWRAYZPDUUSLFC-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