General Information of the Compound
| Compound ID |
CP0539446
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| Compound Name |
US8598357, 15
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| Formula |
C27H35N3O3
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| Molecular Weight |
449.595
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| Canonical SMILES |
Cc1ccc(cn1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1
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| InChI |
InChI=1S/C27H35N3O3/c1-19-5-8-22(17-28-19)27(31)29-23-9-6-20(7-10-23)11-14-30-15-12-21(13-16-30)24-3-2-4-25-26(24)33-18-32-25/h2-5,8,17,20-21,23H,6-7,9-16,18H2,1H3,(H,29,31)/t20-,23-
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| InChIKey |
GOXUZWWTKIXHQU-JKIUYZKVSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor