General Information of the Compound
| Compound ID |
CP0450054
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| Compound Name |
US8835436, Example 100
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| Structure |
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| Formula |
C28H37N5O3
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| Molecular Weight |
491.636
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| Canonical SMILES |
COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c1C
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| InChI |
InChI=1S/C28H37N5O3/c1-19-9-8-11-24(20(19)2)32-15-13-31(14-16-32)18-23(34)17-29-28(35)27-21(3)33(22(4)30-27)25-10-6-7-12-26(25)36-5/h6-12,23,34H,13-18H2,1-5H3,(H,29,35)
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| InChIKey |
YEQXNYBUJMFQJY-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00871, Sodium-dependent serotonin transporter