General Information of the Compound
| Compound ID |
CP0406110
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| Compound Name |
US8586579, 144
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| Formula |
C27H33N5O2
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| Molecular Weight |
459.594
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C27H33N5O2/c28-19-21-1-5-22(6-2-21)27(33)30-23-7-3-20(4-8-23)10-13-31-14-16-32(17-15-31)26-24-11-18-34-25(24)9-12-29-26/h1-2,5-6,9,12,20,23H,3-4,7-8,10-11,13-18H2,(H,30,33)/t20-,23-
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| InChIKey |
MHYHDPMWTXPZLG-JKIUYZKVSA-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