General Information of the Compound
| Compound ID |
CP0546697
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| Compound Name |
US8598357, 66
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| Formula |
C27H40N2O4
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| Molecular Weight |
456.627
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| Canonical SMILES |
OC1(CCCCC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1
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| InChI |
InChI=1S/C27H40N2O4/c30-26(27(31)14-2-1-3-15-27)28-22-9-7-20(8-10-22)11-16-29-17-12-21(13-18-29)23-5-4-6-24-25(23)33-19-32-24/h4-6,20-22,31H,1-3,7-19H2,(H,28,30)/t20-,22-
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| InChIKey |
IHPMTTUHDSGUHU-AQYVVDRMSA-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