General Information of the Compound
| Compound ID |
CP0429728
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| Compound Name |
US8835436, Example 141
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| Structure |
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| Formula |
C26H30Cl3N5O2
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| Molecular Weight |
550.918
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| Canonical SMILES |
CCCc1nc(cn1-c1ccc(Cl)cc1)C(=O)NC[C@H](O)CN1CCN(CC1)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C26H30Cl3N5O2/c1-2-4-24-31-22(17-34(24)19-9-7-18(27)8-10-19)26(36)30-15-20(35)16-32-11-13-33(14-12-32)23-6-3-5-21(28)25(23)29/h3,5-10,17,20,35H,2,4,11-16H2,1H3,(H,30,36)/t20-/m0/s1
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| InChIKey |
JFXAHYFMZDUZMA-FQEVSTJZSA-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