General Information of the Compound
| Compound ID |
CP0414029
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| Compound Name |
US8586579, 84
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| Formula |
C25H35N5O3
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| Molecular Weight |
453.587
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| Canonical SMILES |
Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3nccc4OCCc34)CC2)on1
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| InChI |
InChI=1S/C25H35N5O3/c1-18-16-21(33-28-18)17-24(31)27-20-4-2-19(3-5-20)7-10-29-11-13-30(14-12-29)25-22-8-15-32-23(22)6-9-26-25/h6,9,16,19-20H,2-5,7-8,10-15,17H2,1H3,(H,27,31)/t19-,20-
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| InChIKey |
ZPEAQOHSKIPYKV-MXVIHJGJSA-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