General Information of the Compound
| Compound ID |
CP0914295
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| Compound Name |
(E)-N-({Methyl-[3-(2-methyl-quinolin-8-yloxymethyl)-2,4-bis-(2-oxo-pyrrolidin-1-yl)-phenyl]-carbamoyl}-methyl)-3-[4-(2-oxo-pyrrolidin-1-yl)-phenyl]-acrylamide hydrochloride
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| Structure |
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| Formula |
C41H43ClN6O6
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| Molecular Weight |
751.284
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(N4CCCC4=O)ccc(N(C)C(=O)CNC(=O)/C=C/c4ccc(N5CCCC5=O)cc4)c3N3CCCC3=O)c2n1.Cl
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| InChI |
InChI=1S/C41H42N6O6.ClH/c1-27-12-16-29-7-3-8-34(40(29)43-27)53-26-31-32(46-23-5-10-37(46)50)19-20-33(41(31)47-24-6-11-38(47)51)44(2)39(52)25-42-35(48)21-15-28-13-17-30(18-14-28)45-22-4-9-36(45)49;/h3,7-8,12-21H,4-6,9-11,22-26H2,1-2H3,(H,42,48);1H/b21-15+;
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| InChIKey |
UMXIQWFKVFANFG-NEMIEIFKSA-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