General Information of the Compound
| Compound ID |
CP0512751
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| Compound Name |
(Z)-2-methyl-N'-[[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl]-N'-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]but-2-ene-1,4-diamine
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| Structure |
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| Formula |
C24H32N4
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| Molecular Weight |
376.548
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| Canonical SMILES |
C\C(CN)=C\CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12
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| InChI |
InChI=1S/C24H32N4/c1-18(15-25)11-13-28(23-10-4-8-19-9-5-12-26-24(19)23)17-22-14-20-6-2-3-7-21(20)16-27-22/h2-3,5-7,9,11-12,22-23,27H,4,8,10,13-17,25H2,1H3/b18-11-/t22-,23+/m1/s1
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| InChIKey |
BASXCEHVMKEGCB-CWHOZVNYSA-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: PT02059, C-X-C chemokine receptor type 4
Protein ID: PT01266, Muscarinic acetylcholine receptor M3