General Information of the Compound
| Compound ID |
CP0441841
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| Compound Name |
(1,4-diazepan-1-yl)(5-methoxy-1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2-methyl-1H-indol-3-yl)methanone
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| Structure |
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| Formula |
C25H31N3O5S
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| Molecular Weight |
485.606
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| Canonical SMILES |
COc1ccc2n(c(C)c(C(=O)N3CCCNCC3)c2c1)S(=O)(=O)c1ccc(OC)c(C)c1C
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| InChI |
InChI=1S/C25H31N3O5S/c1-16-17(2)23(10-9-22(16)33-5)34(30,31)28-18(3)24(20-15-19(32-4)7-8-21(20)28)25(29)27-13-6-11-26-12-14-27/h7-10,15,26H,6,11-14H2,1-5H3
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| InChIKey |
PNQGELHLYTXMRZ-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
Protein ID: PT01840, Vasopressin V1b receptor
Protein ID: PT01648, Vasopressin V2 receptor