General Information of the Compound
| Compound ID |
CP0876182
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| Compound Name |
4-[(2R)-3-(2-benzoylphenoxy)-2-hydroxypropyl]-N-(4-methylphenyl)piperazine-1-carbothioamide
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| Structure |
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| Formula |
C28H31N3O3S
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| Molecular Weight |
489.641
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| Canonical SMILES |
Cc1ccc(NC(=S)N2CCN(C[C@@H](O)COc3ccccc3C(=O)c3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C28H31N3O3S/c1-21-11-13-23(14-12-21)29-28(35)31-17-15-30(16-18-31)19-24(32)20-34-26-10-6-5-9-25(26)27(33)22-7-3-2-4-8-22/h2-14,24,32H,15-20H2,1H3,(H,29,35)/t24-/m1/s1
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| InChIKey |
BQPNIKUFINMHHB-XMMPIXPASA-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