General Information of the Compound
| Compound ID |
CP0403039
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| Compound Name |
US8835436, Example 106
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| Structure |
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| Formula |
C29H39N5O2
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| Molecular Weight |
489.664
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| Canonical SMILES |
CC(C)c1nc(C(=O)NCC(O)CN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1
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| InChI |
InChI=1S/C29H39N5O2/c1-20(2)28-31-27(23(5)34(28)24-11-7-6-8-12-24)29(36)30-18-25(35)19-32-14-16-33(17-15-32)26-13-9-10-21(3)22(26)4/h6-13,20,25,35H,14-19H2,1-5H3,(H,30,36)
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| InChIKey |
INVALLJJWAMREW-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