General Information of the Compound
| Compound ID |
CP0388410
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| Compound Name |
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(piperazin-1-yl)isoindolin-2-yl)butyl)thiophene-2-sulfonamide
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| Structure |
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| Formula |
C28H32N4O6S2
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| Molecular Weight |
584.72
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| Canonical SMILES |
COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCNCC3)c2C1=O
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| InChI |
InChI=1S/C28H32N4O6S2/c1-37-23-11-10-19(18-24(23)38-2)21(8-4-12-30-40(35,36)25-9-5-17-39-25)32-27(33)20-6-3-7-22(26(20)28(32)34)31-15-13-29-14-16-31/h3,5-7,9-11,17-18,21,29-30H,4,8,12-16H2,1-2H3/t21-/m1/s1
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| InChIKey |
UWBKABDDTOPLAQ-OAQYLSRUSA-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