General Information of the Compound
| Compound ID |
CP0464923
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| Compound Name |
US8835436, Example 103
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| Structure |
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| Formula |
C28H36ClN5O
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| Molecular Weight |
494.083
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| Canonical SMILES |
Cc1nc(C(=O)NCCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccc1Cl
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| InChI |
InChI=1S/C28H36ClN5O/c1-20-10-9-13-25(21(20)2)33-18-16-32(17-19-33)15-8-7-14-30-28(35)27-22(3)34(23(4)31-27)26-12-6-5-11-24(26)29/h5-6,9-13H,7-8,14-19H2,1-4H3,(H,30,35)
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| InChIKey |
SPAJSYZGCASIAM-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