General Information of the Compound
| Compound ID |
CP0458291
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| Compound Name |
4-[3-(1-butyltriazol-4-yl)propoxy]-N-[3-[4-(8-hydroxy-2-oxo-1H-quinolin-5-yl)-1,4-diazepan-1-yl]propyl]-3-methoxybenzamide
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| Structure |
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| Formula |
C34H45N7O5
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| Molecular Weight |
631.778
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| Canonical SMILES |
CCCCn1cc(CCCOc2ccc(cc2OC)C(=O)NCCCN2CCCN(CC2)c2ccc(O)c3[nH]c(=O)ccc23)nn1
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| InChI |
InChI=1S/C34H45N7O5/c1-3-4-19-41-24-26(37-38-41)8-5-22-46-30-13-9-25(23-31(30)45-2)34(44)35-15-6-16-39-17-7-18-40(21-20-39)28-11-12-29(42)33-27(28)10-14-32(43)36-33/h9-14,23-24,42H,3-8,15-22H2,1-2H3,(H,35,44)(H,36,43)
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| InChIKey |
LQFUKCCOLHDWFK-UHFFFAOYSA-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01195, D(1A) dopamine receptor
Protein ID: PT01169, D(1B) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT01161, D(4) dopamine receptor