General Information of the Compound
| Compound ID |
CP0057753
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| Compound Name |
5-[2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl]-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-ol
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| Structure |
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| Formula |
C28H31NO3
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| Molecular Weight |
429.56
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| Canonical SMILES |
COc1ccc(CCN2C3C4C5C6C4C2(O)C2C6CC5C32)cc1OCCc1ccccc1
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| InChI |
InChI=1S/C28H31NO3/c1-31-19-8-7-16(13-20(19)32-12-10-15-5-3-2-4-6-15)9-11-29-27-23-17-14-18-22-21(17)24(27)26(22)28(29,30)25(18)23/h2-8,13,17-18,21-27,30H,9-12,14H2,1H3
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| InChIKey |
QCBXRMVDVAHCPR-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor