General Information of the Compound
| Compound ID |
CP0460719
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| Compound Name |
CHEMBL3084601
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| Formula |
C30H37ClN4O4S
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| Molecular Weight |
585.17
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| Canonical SMILES |
Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)-c3ncccn3)CCc2c1
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| InChI |
InChI=1S/C30H36N4O4S.ClH/c1-39(36,37)38-28-11-8-23-13-18-34(19-14-24(23)21-28)17-12-22-6-9-27(10-7-22)33-30(35)26-5-2-4-25(20-26)29-31-15-3-16-32-29;/h2-5,8,11,15-16,20-22,27H,6-7,9-10,12-14,17-19H2,1H3,(H,33,35);1H/t22-,27-;
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| InChIKey |
JBMNHDAWGJRPEB-XRYPOXPXSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor