General Information of the Compound
| Compound ID |
CP0511432
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| Compound Name |
2-Cyclopropyl-1-{3-(3,4-dichloro-phenyl)-3-[2-(3-morpholin-4-yl-azetidin-1-yl)-ethyl]-pyrrolidin-1-yl}-ethanone
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| Structure |
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| Formula |
C24H33Cl2N3O2
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| Molecular Weight |
466.453
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2)CCN(C1)C(=O)CC1CC1
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| InChI |
InChI=1S/C24H33Cl2N3O2/c25-21-4-3-19(14-22(21)26)24(6-8-29(17-24)23(30)13-18-1-2-18)5-7-27-15-20(16-27)28-9-11-31-12-10-28/h3-4,14,18,20H,1-2,5-13,15-17H2
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| InChIKey |
HUBWIIWJNKXHQV-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