General Information of the Compound
| Compound ID |
CP0375545
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| Compound Name |
N-[4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]thiophene-2-sulfonamide
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| Structure |
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| Formula |
C36H40N4O6S2
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| Molecular Weight |
688.872
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| Canonical SMILES |
COc1ccc(cc1OC)C(CCCNS(=O)(=O)c1cccs1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
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| InChI |
InChI=1S/C36H40N4O6S2/c1-25(26-10-5-4-6-11-26)38-19-21-39(22-20-38)30-13-7-12-28-34(30)36(42)40(35(28)41)29(27-16-17-31(45-2)32(24-27)46-3)14-8-18-37-48(43,44)33-15-9-23-47-33/h4-7,9-13,15-17,23-25,29,37H,8,14,18-22H2,1-3H3/t25-,29?/m1/s1
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| InChIKey |
JOTYMLKDQAFRFK-MIJJZIGMSA-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