General Information of the Compound
| Compound ID |
CP0389369
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| Compound Name |
US8586579, 161
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| Formula |
C32H38N4O2
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| Molecular Weight |
510.682
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| Canonical SMILES |
O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C32H38N4O2/c37-32(27-10-8-26(9-11-27)25-4-2-1-3-5-25)34-28-12-6-24(7-13-28)15-18-35-19-21-36(22-20-35)31-29-16-23-38-30(29)14-17-33-31/h1-5,8-11,14,17,24,28H,6-7,12-13,15-16,18-23H2,(H,34,37)/t24-,28-
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| InChIKey |
ZQZUTJSBLPRYPL-XBTDCMMSSA-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