General Information of the Compound
| Compound ID |
CP0409843
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| Compound Name |
US8598357, 20
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| Formula |
C23H31N3O3
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| Molecular Weight |
397.519
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| Canonical SMILES |
O=C(CC#N)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1
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| InChI |
InChI=1S/C23H31N3O3/c24-12-8-22(27)25-19-6-4-17(5-7-19)9-13-26-14-10-18(11-15-26)20-2-1-3-21-23(20)29-16-28-21/h1-3,17-19H,4-11,13-16H2,(H,25,27)/t17-,19-
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| InChIKey |
ZJUQDFIINDCGDS-UAPYVXQJSA-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