General Information of the Compound
| Compound ID |
CP0382553
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| Compound Name |
US8586579, 146
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| Formula |
C29H40N6O3
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| Molecular Weight |
520.678
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(nc1)N1CCOCC1
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| InChI |
InChI=1S/C29H40N6O3/c36-29(23-3-6-27(31-21-23)34-16-19-37-20-17-34)32-24-4-1-22(2-5-24)8-11-33-12-14-35(15-13-33)28-25-9-18-38-26(25)7-10-30-28/h3,6-7,10,21-22,24H,1-2,4-5,8-9,11-20H2,(H,32,36)/t22-,24-
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| InChIKey |
SWYRWYLIJXJVNV-HCGLCNNCSA-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