General Information of the Compound
| Compound ID |
CP0381771
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| Compound Name |
US8598357, 53
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| Formula |
C27H40N2O4
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| Molecular Weight |
456.627
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| Canonical SMILES |
O=C(CC1CCOCC1)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1
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| InChI |
InChI=1S/C27H40N2O4/c30-26(18-21-11-16-31-17-12-21)28-23-6-4-20(5-7-23)8-13-29-14-9-22(10-15-29)24-2-1-3-25-27(24)33-19-32-25/h1-3,20-23H,4-19H2,(H,28,30)/t20-,23-
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| InChIKey |
SGABQHZVZUGQTC-JKIUYZKVSA-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