General Information of the Compound
| Compound ID |
CP0375693
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| Compound Name |
US8598357, 19
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| Formula |
C26H35N3O4
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| Molecular Weight |
453.583
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| Canonical SMILES |
Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3cccc4OCOc34)CC2)on1
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| InChI |
InChI=1S/C26H35N3O4/c1-18-15-22(33-28-18)16-25(30)27-21-7-5-19(6-8-21)9-12-29-13-10-20(11-14-29)23-3-2-4-24-26(23)32-17-31-24/h2-4,15,19-21H,5-14,16-17H2,1H3,(H,27,30)/t19-,21-
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| InChIKey |
VNDRDTRYTOSTBB-XUTJKUGGSA-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