General Information of the Compound
| Compound ID |
CP0407019
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| Compound Name |
N,N-diethyl-3-[4-[1-[(E)-4-[2-(4-methoxyphenyl)benzimidazol-1-yl]but-2-enyl]benzimidazol-2-yl]phenoxy]propan-1-amine
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| Structure |
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| Formula |
C38H41N5O2
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| Molecular Weight |
599.779
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| Canonical SMILES |
CCN(CC)CCCOc1ccc(cc1)-c1nc2ccccc2n1C\C=C\Cn1c(nc2ccccc12)-c1ccc(OC)cc1
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| InChI |
InChI=1S/C38H41N5O2/c1-4-41(5-2)25-12-28-45-32-23-19-30(20-24-32)38-40-34-14-7-9-16-36(34)43(38)27-11-10-26-42-35-15-8-6-13-33(35)39-37(42)29-17-21-31(44-3)22-18-29/h6-11,13-24H,4-5,12,25-28H2,1-3H3/b11-10+
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| InChIKey |
DNKCJBSJSPBJID-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