General Information of the Compound
| Compound ID |
CP0388404
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| Compound Name |
N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1S)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C34H36N4O6S2
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| Molecular Weight |
660.818
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| Canonical SMILES |
COc1ccc(cc1OC)C(CNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)[C@@H](C)c3ccccc3)c2C1=O
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| InChI |
InChI=1S/C34H36N4O6S2/c1-23(24-9-5-4-6-10-24)36-16-18-37(19-17-36)27-12-7-11-26-32(27)34(40)38(33(26)39)28(22-35-46(41,42)31-13-8-20-45-31)25-14-15-29(43-2)30(21-25)44-3/h4-15,20-21,23,28,35H,16-19,22H2,1-3H3/t23-,28?/m0/s1
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| InChIKey |
XXTPMBVPKVOGOB-UHFKCPIBSA-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