General Information of the Compound
| Compound ID |
CP0539458
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| Compound Name |
US8586579, 13
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| Formula |
C23H32N4O2
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| Molecular Weight |
396.535
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3occc23)CC1)C1CC1
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| InChI |
InChI=1S/C23H32N4O2/c28-23(18-3-4-18)25-19-5-1-17(2-6-19)8-11-26-12-14-27(15-13-26)22-20-9-16-29-21(20)7-10-24-22/h7,9-10,16-19H,1-6,8,11-15H2,(H,25,28)/t17-,19-
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| InChIKey |
SVONVXKDHRPGFI-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