General Information of the Compound
| Compound ID |
CP0414017
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| Compound Name |
US8586579, 118
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| Formula |
C31H44N6O2
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| Molecular Weight |
532.733
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| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1
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| InChI |
InChI=1S/C31H44N6O2/c1-34-15-19-36(20-16-34)27-8-4-25(5-9-27)31(38)33-26-6-2-24(3-7-26)11-14-35-17-21-37(22-18-35)30-28-12-23-39-29(28)10-13-32-30/h4-5,8-10,13,24,26H,2-3,6-7,11-12,14-23H2,1H3,(H,33,38)/t24-,26-
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| InChIKey |
FNDLZQGZKLRGIU-YOCNBXQISA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor