General Information of the Compound
| Compound ID |
CP0935598
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| Compound Name |
(E)-N-{1-[3-(2-Methyl-quinolin-8-yloxymethyl)-2,4-bis-(2-oxo-pyrrolidin-1-yl)-phenyl]-1H-pyrrol-2-ylmethyl}-3-[4-(2-oxo-pyrrolidin-1-yl)-phenyl]-acrylamide hydrochloride
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| Structure |
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| Formula |
C43H43ClN6O5
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| Molecular Weight |
759.307
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| Canonical SMILES |
Cc1ccc2cccc(OCc3c(N4CCCC4=O)ccc(-n4cccc4CNC(=O)/C=C/c4ccc(N5CCCC5=O)cc4)c3N3CCCC3=O)c2n1.Cl
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| InChI |
InChI=1S/C43H42N6O5.ClH/c1-29-13-17-31-7-2-9-37(42(31)45-29)54-28-34-35(48-25-5-11-40(48)52)20-21-36(43(34)49-26-6-12-41(49)53)46-23-3-8-33(46)27-44-38(50)22-16-30-14-18-32(19-15-30)47-24-4-10-39(47)51;/h2-3,7-9,13-23H,4-6,10-12,24-28H2,1H3,(H,44,50);1H/b22-16+;
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| InChIKey |
FELHVZRTSZIUKF-YHLMHSEJSA-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