General Information of the Compound
| Compound ID |
CP0466309
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| Compound Name |
[3-(3,4-dichlorophenyl)-3-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]pyrrolidin-1-yl]-phenylmethanone
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| Structure |
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| Formula |
C26H31Cl2N3O2
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| Molecular Weight |
488.459
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| Canonical SMILES |
Clc1ccc(cc1Cl)C1(CCN2CC(C2)N2CCOCC2)CCN(C1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C26H31Cl2N3O2/c27-23-7-6-21(16-24(23)28)26(8-10-29-17-22(18-29)30-12-14-33-15-13-30)9-11-31(19-26)25(32)20-4-2-1-3-5-20/h1-7,16,22H,8-15,17-19H2
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| InChIKey |
RMEQQVAFUFTJKY-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