General Information of the Compound
| Compound ID |
CP0511594
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| Compound Name |
CHEMBL2368619
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| Formula |
C28H35ClF2N2O3S
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| Molecular Weight |
553.115
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| Canonical SMILES |
Cl.CS(=O)(=O)c1ccc2CCN(CC[C@H]3CC[C@@H](CC3)NC(=O)\C=C\c3c(F)cccc3F)CCc2c1
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| InChI |
InChI=1S/C28H34F2N2O3S.ClH/c1-36(34,35)24-10-7-21-14-17-32(18-15-22(21)19-24)16-13-20-5-8-23(9-6-20)31-28(33)12-11-25-26(29)3-2-4-27(25)30;/h2-4,7,10-12,19-20,23H,5-6,8-9,13-18H2,1H3,(H,31,33);1H/b12-11+;/t20-,23-;
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| InChIKey |
DERLLDSGKLKQTQ-NUVJTXAISA-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