General Information of the Compound
| Compound ID |
CP0518126
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| Compound Name |
(S)-2-Benzylamino-3-(3,4-dichloro-benzyloxy)-1-(4-o-tolyl-piperazin-1-yl)-propan-1-one
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| Structure |
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| Formula |
C28H31Cl2N3O2
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| Molecular Weight |
512.481
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)C(=O)[C@H](COCc1ccc(Cl)c(Cl)c1)NCc1ccccc1
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| InChI |
InChI=1S/C28H31Cl2N3O2/c1-21-7-5-6-10-27(21)32-13-15-33(16-14-32)28(34)26(31-18-22-8-3-2-4-9-22)20-35-19-23-11-12-24(29)25(30)17-23/h2-12,17,26,31H,13-16,18-20H2,1H3/t26-/m0/s1
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| InChIKey |
DUTQVRPRTFGQLG-SANMLTNESA-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