General Information of the Compound
| Compound ID |
CP0471688
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| Compound Name |
CHEMBL4799793
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| Formula |
C22H23ClN4O
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| Molecular Weight |
394.906
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| Canonical SMILES |
Clc1ccc-2c(CCCc3nnc([C@H]4CC[C@@H](CC4)Oc4ccccn4)n-23)c1
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| InChI |
InChI=1S/C22H23ClN4O/c23-17-9-12-19-16(14-17)4-3-5-20-25-26-22(27(19)20)15-7-10-18(11-8-15)28-21-6-1-2-13-24-21/h1-2,6,9,12-15,18H,3-5,7-8,10-11H2/t15-,18-
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| InChIKey |
XPJLLCAORNNZCL-RZDIXWSQSA-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: PT01839, Vasopressin V1a receptor
Protein ID: PT01648, Vasopressin V2 receptor