General Information of the Compound
| Compound ID |
CP0514641
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| Compound Name |
N-[(2S)-1-(4-chlorophenyl)-4-(dimethylamino)butan-2-yl]-N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-ethylbenzamide
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| Structure |
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| Formula |
C29H39ClN2O3
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| Molecular Weight |
499.095
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| Canonical SMILES |
CCc1ccccc1C(=O)N([C@H](CCN(C)C)Cc1ccc(Cl)cc1)C1CCC2(CC1)OCCO2
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| InChI |
InChI=1S/C29H39ClN2O3/c1-4-23-7-5-6-8-27(23)28(33)32(25-13-16-29(17-14-25)34-19-20-35-29)26(15-18-31(2)3)21-22-9-11-24(30)12-10-22/h5-12,25-26H,4,13-21H2,1-3H3/t26-/m1/s1
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| InChIKey |
OTXWONFJGXGQTF-AREMUKBSSA-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