General Information of the Compound
| Compound ID |
CP0389365
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| Compound Name |
US8835436, Example 111
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| Structure |
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| Formula |
C28H36ClN5O2
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| Molecular Weight |
510.082
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| Canonical SMILES |
CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCC(O)CN1CCN(CC1)c1cccc(C)c1C
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| InChI |
InChI=1S/C28H36ClN5O2/c1-4-6-27-31-25(19-34(27)23-11-9-22(29)10-12-23)28(36)30-17-24(35)18-32-13-15-33(16-14-32)26-8-5-7-20(2)21(26)3/h5,7-12,19,24,35H,4,6,13-18H2,1-3H3,(H,30,36)
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| InChIKey |
XQNUHOBXWNJGHV-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