General Information of the Compound
| Compound ID |
CP0407188
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| Compound Name |
US8598357, 57
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| Formula |
C30H35N3O3
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| Molecular Weight |
485.628
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCOc23)CC1)c1ccnc2ccccc12
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| InChI |
InChI=1S/C30H35N3O3/c34-30(26-12-16-31-27-6-2-1-4-25(26)27)32-23-10-8-21(9-11-23)13-17-33-18-14-22(15-19-33)24-5-3-7-28-29(24)36-20-35-28/h1-7,12,16,21-23H,8-11,13-15,17-20H2,(H,32,34)/t21-,23-
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| InChIKey |
NICPNELNWYJWOA-AFARHQOCSA-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