General Information of the Compound
| Compound ID |
CP0373775
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| Compound Name |
2-(1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindoline-1,3-dione
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| Structure |
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| Formula |
C30H33N3O4
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| Molecular Weight |
499.611
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| Canonical SMILES |
COc1ccc(cc1OC)C(C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
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| InChI |
InChI=1S/C30H33N3O4/c1-20(22-9-6-5-7-10-22)31-15-17-32(18-16-31)25-12-8-11-24-28(25)30(35)33(29(24)34)21(2)23-13-14-26(36-3)27(19-23)37-4/h5-14,19-21H,15-18H2,1-4H3/t20-,21?/m1/s1
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| InChIKey |
ABGDCDADBTYYKP-VQCQRNETSA-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