General Information of the Compound
| Compound ID |
CP0508544
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| Compound Name |
N,N-diethyl-3-[4-[1-[(E)-4-(2-methylbenzimidazol-1-yl)but-2-enyl]benzimidazol-2-yl]phenoxy]propan-1-amine
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| Structure |
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| Formula |
C32H37N5O
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| Molecular Weight |
507.682
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| Canonical SMILES |
CCN(CC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(C)nc2ccccc12
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| InChI |
InChI=1S/C32H37N5O/c1-4-35(5-2)21-12-24-38-27-19-17-26(18-20-27)32-34-29-14-7-9-16-31(29)37(32)23-11-10-22-36-25(3)33-28-13-6-8-15-30(28)36/h6-11,13-20H,4-5,12,21-24H2,1-3H3/b11-10+
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| InChIKey |
WBOPWSGPXLCXQU-ZHACJKMWSA-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