General Information of the Compound
| Compound ID |
CP0530038
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| Compound Name |
N-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]-3-hydroxybutyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C24H30ClN3O4
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| Molecular Weight |
459.974
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| Canonical SMILES |
CCc1cccc(N2CCN(CC(O)CCNC(=O)c3ccc4OCOc4c3)CC2)c1Cl
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| InChI |
InChI=1S/C24H30ClN3O4/c1-2-17-4-3-5-20(23(17)25)28-12-10-27(11-13-28)15-19(29)8-9-26-24(30)18-6-7-21-22(14-18)32-16-31-21/h3-7,14,19,29H,2,8-13,15-16H2,1H3,(H,26,30)
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| InChIKey |
CAQIBAFXOSLMJP-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor