General Information of the Compound
| Compound ID |
CP0420034
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| Compound Name |
US8598357, 62
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| Formula |
C25H36N2O4
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| Molecular Weight |
428.573
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| Canonical SMILES |
CC1(COC1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1
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| InChI |
InChI=1S/C25H36N2O4/c1-25(15-29-16-25)24(28)26-20-7-5-18(6-8-20)9-12-27-13-10-19(11-14-27)21-3-2-4-22-23(21)31-17-30-22/h2-4,18-20H,5-17H2,1H3,(H,26,28)/t18-,20-
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| InChIKey |
BXGMQIUZTIUQRE-KESTWPANSA-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