General Information of the Compound
| Compound ID |
CP0500190
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| Compound Name |
4-[4-methoxy-3-[5-[(2-phenylazepan-1-yl)methyl]-1H-pyrrol-2-yl]phenyl]sulfonylmorpholine
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| Structure |
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| Formula |
C28H35N3O4S
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| Molecular Weight |
509.672
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| Canonical SMILES |
COc1ccc(cc1-c1ccc(CN2CCCCCC2c2ccccc2)[nH]1)S(=O)(=O)N1CCOCC1
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| InChI |
InChI=1S/C28H35N3O4S/c1-34-28-14-12-24(36(32,33)31-16-18-35-19-17-31)20-25(28)26-13-11-23(29-26)21-30-15-7-3-6-10-27(30)22-8-4-2-5-9-22/h2,4-5,8-9,11-14,20,27,29H,3,6-7,10,15-19,21H2,1H3
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| InChIKey |
KYKGECIXEATTSM-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