General Information of the Compound
| Compound ID |
CP0515345
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| Compound Name |
US8835436, Example 132
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| Structure |
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| Formula |
C26H34N6O
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| Molecular Weight |
446.599
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| Canonical SMILES |
Cc1nc(C(=O)NCCCN2CCN(CC2)c2cccc(C)c2C)c(C)n1-c1ccccn1
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| InChI |
InChI=1S/C26H34N6O/c1-19-9-7-10-23(20(19)2)31-17-15-30(16-18-31)14-8-13-28-26(33)25-21(3)32(22(4)29-25)24-11-5-6-12-27-24/h5-7,9-12H,8,13-18H2,1-4H3,(H,28,33)
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| InChIKey |
MKONVJWMCLCPCH-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