General Information of the Compound
| Compound ID |
CP0401343
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| Compound Name |
US8835436, Example 4
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| Structure |
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| Formula |
C25H28Cl3N5O
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| Molecular Weight |
520.892
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| Canonical SMILES |
CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NCCN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C25H28Cl3N5O/c1-2-4-23-30-21(17-33(23)19-9-7-18(26)8-10-19)25(34)29-11-12-31-13-15-32(16-14-31)22-6-3-5-20(27)24(22)28/h3,5-10,17H,2,4,11-16H2,1H3,(H,29,34)
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| InChIKey |
XEOCHFFUOJNUJC-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