General Information of the Compound
| Compound ID |
CP0374116
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| Compound Name |
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-ethylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)-1H-imidazole-4-sulfonamide
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| Structure |
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| Formula |
C29H38N6O5S
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| Molecular Weight |
582.727
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| Canonical SMILES |
CCN1CCN(CC1)c1cccc2C(=O)N(Cc12)[C@H](CCCNS(=O)(=O)c1cnc[nH]1)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C29H38N6O5S/c1-4-33-13-15-34(16-14-33)25-8-5-7-22-23(25)19-35(29(22)36)24(21-10-11-26(39-2)27(17-21)40-3)9-6-12-32-41(37,38)28-18-30-20-31-28/h5,7-8,10-11,17-18,20,24,32H,4,6,9,12-16,19H2,1-3H3,(H,30,31)/t24-/m1/s1
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| InChIKey |
CLJZHEOPHRWZIL-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