General Information of the Compound
| Compound ID |
CP0485419
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| Compound Name |
2-(1-(3,4-dimethoxyphenyl)propyl)-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindoline-1,3-dione
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| Structure |
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| Formula |
C31H35N3O4
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| Molecular Weight |
513.638
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| Canonical SMILES |
CCC(N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O)c1ccc(OC)c(OC)c1
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| InChI |
InChI=1S/C31H35N3O4/c1-5-25(23-14-15-27(37-3)28(20-23)38-4)34-30(35)24-12-9-13-26(29(24)31(34)36)33-18-16-32(17-19-33)21(2)22-10-7-6-8-11-22/h6-15,20-21,25H,5,16-19H2,1-4H3/t21-,25?/m1/s1
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| InChIKey |
JGIWRIFEXHLPDP-JGKWMGOWSA-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