General Information of the Compound
| Compound ID |
CP0381116
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| Compound Name |
(R)-N-(4-(3,4-dimethoxyphenyl)-4-(4-(4-methylpiperazin-1-yl)-1-oxoisoindolin-2-yl)butyl)-N-methylthiophene-2-sulfonamide
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| Structure |
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| Formula |
C30H38N4O5S2
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| Molecular Weight |
598.791
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| Canonical SMILES |
COc1ccc(cc1OC)[C@@H](CCCN(C)S(=O)(=O)c1cccs1)N1Cc2c(cccc2N2CCN(C)CC2)C1=O
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| InChI |
InChI=1S/C30H38N4O5S2/c1-31-15-17-33(18-16-31)26-9-5-8-23-24(26)21-34(30(23)35)25(22-12-13-27(38-3)28(20-22)39-4)10-6-14-32(2)41(36,37)29-11-7-19-40-29/h5,7-9,11-13,19-20,25H,6,10,14-18,21H2,1-4H3/t25-/m1/s1
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| InChIKey |
PCEKCLOOCOQZJD-RUZDIDTESA-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