General Information of the Compound
| Compound ID |
CP0648872
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| Compound Name |
N-[4-(7-Cyano-3,4-dihydro-1H-isoquinolin-2-yl)-butyl]-3-(1H-indol-3-yl)-acrylamide
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| Structure |
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| Formula |
C25H27ClN4O
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| Molecular Weight |
434.971
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| Canonical SMILES |
Cl.N#Cc1ccc2c(c1)CN(CCCCNC(=O)/C=C/c1c[nH]c3ccccc13)CC2
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| InChI |
InChI=1S/C25H26N4O.ClH/c26-16-19-7-8-20-11-14-29(18-22(20)15-19)13-4-3-12-27-25(30)10-9-21-17-28-24-6-2-1-5-23(21)24;/h1-2,5-10,15,17,28H,3-4,11-14,18H2,(H,27,30);1H/b10-9+;
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| InChIKey |
DEJKGAVQDALKDV-RRABGKBLSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor