General Information of the Compound
| Compound ID |
CP0403388
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| Compound Name |
US8586579, 143
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| Formula |
C26H35N5O2
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| Molecular Weight |
449.599
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| Canonical SMILES |
Cc1ccc(cn1)C(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nccc3OCCc23)CC1
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| InChI |
InChI=1S/C26H35N5O2/c1-19-2-5-21(18-28-19)26(32)29-22-6-3-20(4-7-22)9-12-30-13-15-31(16-14-30)25-23-10-17-33-24(23)8-11-27-25/h2,5,8,11,18,20,22H,3-4,6-7,9-10,12-17H2,1H3,(H,29,32)/t20-,22-
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| InChIKey |
UNPARBQWWULNRE-AQYVVDRMSA-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