General Information of the Compound
| Compound ID |
CP0415564
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| Compound Name |
US8586579, 156
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| Formula |
C28H35N5O3
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| Molecular Weight |
489.62
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| Canonical SMILES |
O=C(Cc1noc2ccccc12)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1
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| InChI |
InChI=1S/C28H35N5O3/c34-27(19-24-22-3-1-2-4-26(22)36-31-24)30-21-7-5-20(6-8-21)10-13-32-14-16-33(17-15-32)28-23-11-18-35-25(23)9-12-29-28/h1-4,9,12,20-21H,5-8,10-11,13-19H2,(H,30,34)/t20-,21-
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| InChIKey |
MWMCOQFLGVOAHE-MEMLXQNLSA-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