General Information of the Compound
| Compound ID |
CP0460919
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| Compound Name |
CHEMBL3084596
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| Formula |
C30H38ClN3O4S
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| Molecular Weight |
572.171
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| Canonical SMILES |
Cl.CS(=O)(=O)Oc1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)c3cccc(c3)-n3cccc3)CCc2c1
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| InChI |
InChI=1S/C30H37N3O4S.ClH/c1-38(35,36)37-29-12-9-24-14-19-32(20-15-25(24)22-29)18-13-23-7-10-27(11-8-23)31-30(34)26-5-4-6-28(21-26)33-16-2-3-17-33;/h2-6,9,12,16-17,21-23,27H,7-8,10-11,13-15,18-20H2,1H3,(H,31,34);1H/t23-,27-;
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| InChIKey |
GHZSMFQVDZLPEQ-DWAHYBIUSA-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