General Information of the Compound
| Compound ID |
CP0488898
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| Compound Name |
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpiperazin-1-yl)-1,3-dioxoisoindolin-2-yl)butyl)-1,2-dimethyl-1H-imidazole-4-sulfonamide
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| Structure |
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| Formula |
C31H40N6O6S
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| Molecular Weight |
624.764
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| Canonical SMILES |
CCN1CCN(CC1)c1cccc2C(=O)N([C@H](CCCNS(=O)(=O)c3cn(C)c(C)n3)c3ccc(OC)c(OC)c3)C(=O)c12
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| InChI |
InChI=1S/C31H40N6O6S/c1-6-35-15-17-36(18-16-35)25-10-7-9-23-29(25)31(39)37(30(23)38)24(22-12-13-26(42-4)27(19-22)43-5)11-8-14-32-44(40,41)28-20-34(3)21(2)33-28/h7,9-10,12-13,19-20,24,32H,6,8,11,14-18H2,1-5H3/t24-/m1/s1
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| InChIKey |
OIWZZNWVSQIFAZ-XMMPIXPASA-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: PT03174, Urotensin-2 receptor
Protein ID: PT02463, Urotensin-2 receptor