General Information of the Compound
| Compound ID |
CP0511461
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| Compound Name |
4-(1-{2-[1-Benzenesulfonyl-3-(3,4-dichloro-phenyl)-pyrrolidin-3-yl]-ethyl}-azetidin-3-yl)-morpholine
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| Structure |
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| Formula |
C25H31Cl2N3O3S
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| Molecular Weight |
524.514
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2)CCN(C1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H31Cl2N3O3S/c26-23-7-6-20(16-24(23)27)25(8-10-28-17-21(18-28)29-12-14-33-15-13-29)9-11-30(19-25)34(31,32)22-4-2-1-3-5-22/h1-7,16,21H,8-15,17-19H2
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| InChIKey |
BLQXIDSIUQQUFD-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