General Information of the Compound
| Compound ID |
CP0415733
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| Compound Name |
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-methylpiperazin-1-yl)-1,3-dioxoisoindolin-2-yl)butyl)thiophene-2-sulfonamide
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| Structure |
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| Formula |
C29H34N4O6S2
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| Molecular Weight |
598.747
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| Canonical SMILES |
COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(C)CC3)c2C1=O
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| InChI |
InChI=1S/C29H34N4O6S2/c1-31-14-16-32(17-15-31)23-8-4-7-21-27(23)29(35)33(28(21)34)22(20-11-12-24(38-2)25(19-20)39-3)9-5-13-30-41(36,37)26-10-6-18-40-26/h4,6-8,10-12,18-19,22,30H,5,9,13-17H2,1-3H3/t22-/m1/s1
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| InChIKey |
QVOADEILYCLCKY-JOCHJYFZSA-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