General Information of the Compound
| Compound ID |
CP0506036
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| Compound Name |
N-[(2S)-1-(4-chlorophenyl)-4-morpholin-4-ylbutan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethylbenzamide
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| Structure |
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| Formula |
C31H41ClN2O4
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| Molecular Weight |
541.132
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| Canonical SMILES |
CCc1ccccc1C(=O)N([C@H](CCN1CCOCC1)Cc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
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| InChI |
InChI=1S/C31H41ClN2O4/c1-2-25-5-3-4-6-29(25)30(35)34(27-11-14-31(15-12-27)37-21-22-38-31)28(13-16-33-17-19-36-20-18-33)23-24-7-9-26(32)10-8-24/h3-10,27-28H,2,11-23H2,1H3/t28-/m1/s1
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| InChIKey |
JLJMQIQMPOTPTK-MUUNZHRXSA-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