General Information of the Compound
| Compound ID |
CP0549781
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| Compound Name |
3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-(1-methyl-2-oxo-3,4-dihydroquinolin-7-yl)-4-phenylbenzamide;oxalic acid
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| Structure |
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| Formula |
C32H35N3O7
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| Molecular Weight |
573.646
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| Canonical SMILES |
OC(=O)C(O)=O.COC[C@@H]1CCCN1Cc1cc(ccc1-c1ccccc1)C(=O)Nc1ccc2CCC(=O)N(C)c2c1
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| InChI |
InChI=1S/C30H33N3O3.C2H2O4/c1-32-28-18-25(13-10-22(28)12-15-29(32)34)31-30(35)23-11-14-27(21-7-4-3-5-8-21)24(17-23)19-33-16-6-9-26(33)20-36-2;3-1(4)2(5)6/h3-5,7-8,10-11,13-14,17-18,26H,6,9,12,15-16,19-20H2,1-2H3,(H,31,35);(H,3,4)(H,5,6)/t26-;/m0./s1
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| InChIKey |
PXLGDHRJPASKLW-SNYZSRNZSA-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