General Information of the Compound
| Compound ID |
CP0402806
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| Compound Name |
US8586579, 57
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| Formula |
C30H41N5O3
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| Molecular Weight |
519.69
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C30H41N5O3/c36-30(24-3-7-26(8-4-24)34-18-21-37-22-19-34)32-25-5-1-23(2-6-25)10-13-33-14-16-35(17-15-33)29-27-11-20-38-28(27)9-12-31-29/h3-4,7-9,12,23,25H,1-2,5-6,10-11,13-22H2,(H,32,36)/t23-,25-
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| InChIKey |
WVPMAZJVALETCI-ALOJWSFFSA-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