General Information of the Compound
| Compound ID |
CP0544789
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| Compound Name |
US8586579, 77
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| Formula |
C24H36N4O3
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| Molecular Weight |
428.577
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| Canonical SMILES |
O=C(CC1COC1)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1
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| InChI |
InChI=1S/C24H36N4O3/c29-23(15-19-16-30-17-19)26-20-3-1-18(2-4-20)6-9-27-10-12-28(13-11-27)24-21-7-14-31-22(21)5-8-25-24/h5,8,18-20H,1-4,6-7,9-17H2,(H,26,29)/t18-,20-
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| InChIKey |
KPWFNAZMRFBRMI-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