General Information of the Compound
| Compound ID |
CP0439005
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| Compound Name |
CHEMBL2113207
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| Formula |
C22H17ClN4O4S
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| Molecular Weight |
468.922
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| Canonical SMILES |
Clc1ccc(cc1)N(CC(=O)NN=C1C(=O)Nc2ccccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C22H17ClN4O4S/c23-15-10-12-16(13-11-15)27(32(30,31)17-6-2-1-3-7-17)14-20(28)25-26-21-18-8-4-5-9-19(18)24-22(21)29/h1-13H,14H2,(H,25,28)(H,24,26,29)
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| InChIKey |
WWKDOYKVFAPFBA-UHFFFAOYSA-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: PT01658, Oxytocin receptor
Protein ID: PT01839, Vasopressin V1a receptor