General Information of the Compound
| Compound ID |
CP0441704
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| Compound Name |
[5-[[4-[3-[1-methyl-2-[[methyl(prop-2-ynyl)amino]methyl]indol-5-yl]oxypropyl]piperidin-1-yl]methyl]quinolin-8-yl] N,N-dimethylcarbamate
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| Structure |
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| Formula |
C35H43N5O3
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| Molecular Weight |
581.761
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| Canonical SMILES |
CN(CC#C)Cc1cc2cc(OCCCC3CCN(Cc4ccc(OC(=O)N(C)C)c5ncccc45)CC3)ccc2n1C
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| InChI |
InChI=1S/C35H43N5O3/c1-6-18-38(4)25-29-22-28-23-30(12-13-32(28)39(29)5)42-21-8-9-26-15-19-40(20-16-26)24-27-11-14-33(43-35(41)37(2)3)34-31(27)10-7-17-36-34/h1,7,10-14,17,22-23,26H,8-9,15-16,18-21,24-25H2,2-5H3
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| InChIKey |
PXAIJXLXGTZZNP-UHFFFAOYSA-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
Protein ID: PT00820, Acetylcholinesterase
Protein ID: PT00826, Cholinesterase