General Information of the Compound
| Compound ID |
CP0428007
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| Compound Name |
US8586579, 98
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| Formula |
C27H40N4O3
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| Molecular Weight |
468.642
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| Canonical SMILES |
Cc1cc2occc2c(n1)N1CCN(CC[C@H]2CC[C@@H](CC2)NC(=O)CC2CCOCC2)CC1
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| InChI |
InChI=1S/C27H40N4O3/c1-20-18-25-24(9-17-34-25)27(28-20)31-13-11-30(12-14-31)10-6-21-2-4-23(5-3-21)29-26(32)19-22-7-15-33-16-8-22/h9,17-18,21-23H,2-8,10-16,19H2,1H3,(H,29,32)/t21-,23-
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| InChIKey |
KGHICJQDLKRYCB-AFARHQOCSA-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