General Information of the Compound
| Compound ID |
CP0464370
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| Compound Name |
N,N-diethyl-3-[4-[1-[(E)-4-(2-phenylbenzimidazol-1-yl)but-2-enyl]benzimidazol-2-yl]phenoxy]propan-1-amine
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| Structure |
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| Formula |
C37H39N5O
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| Molecular Weight |
569.753
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| Canonical SMILES |
CCN(CC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccccc1
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| InChI |
InChI=1S/C37H39N5O/c1-3-40(4-2)25-14-28-43-31-23-21-30(22-24-31)37-39-33-18-9-11-20-35(33)42(37)27-13-12-26-41-34-19-10-8-17-32(34)38-36(41)29-15-6-5-7-16-29/h5-13,15-24H,3-4,14,25-28H2,1-2H3/b13-12+
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| InChIKey |
OIVYFRNOFHRRJS-OUKQBFOZSA-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