General Information of the Compound
| Compound ID |
CP0383909
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| Compound Name |
2-[4-methoxy-3-[5-[(2-phenylazepan-1-yl)methyl]-1H-pyrrol-2-yl]phenyl]sulfonyl-3,4-dihydro-1H-isoquinoline
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| Structure |
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| Formula |
C33H37N3O3S
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| Molecular Weight |
555.744
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| Canonical SMILES |
COc1ccc(cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1)S(=O)(=O)N1CCc2ccccc2C1
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| InChI |
InChI=1S/C33H37N3O3S/c1-39-33-18-16-29(40(37,38)36-21-19-25-10-7-8-13-27(25)23-36)22-30(33)31-17-15-28(34-31)24-35-20-9-3-6-14-32(35)26-11-4-2-5-12-26/h2,4-5,7-8,10-13,15-18,22,32,34H,3,6,9,14,19-21,23-24H2,1H3
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| InChIKey |
FXOJKPLALHHTKM-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