General Information of the Compound
| Compound ID |
CP0420085
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| Compound Name |
CHEMBL3891773
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| Formula |
C19H28N4S
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| Molecular Weight |
344.528
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| Canonical SMILES |
N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1
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| InChI |
InChI=1S/C19H28N4S/c20-16-7-5-15(6-8-16)9-10-22-11-13-23(14-12-22)19-17-3-1-2-4-18(17)24-21-19/h1-4,15-16H,5-14,20H2/t15-,16-
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| InChIKey |
HMETZCGOVJHJBJ-WKILWMFISA-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor