General Information of the Compound
| Compound ID |
CP0447566
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| Compound Name |
2-(2-amino-1-(3,4-dimethoxyphenyl)ethyl)-4-(4-((S)-1-phenylethyl)piperazin-1-yl)isoindoline-1,3-dione
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| Structure |
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| Formula |
C30H34N4O4
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| Molecular Weight |
514.626
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| Canonical SMILES |
COc1ccc(cc1OC)C(CN)N1C(=O)c2cccc(N3CCN(CC3)[C@@H](C)c3ccccc3)c2C1=O
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| InChI |
InChI=1S/C30H34N4O4/c1-20(21-8-5-4-6-9-21)32-14-16-33(17-15-32)24-11-7-10-23-28(24)30(36)34(29(23)35)25(19-31)22-12-13-26(37-2)27(18-22)38-3/h4-13,18,20,25H,14-17,19,31H2,1-3H3/t20-,25?/m0/s1
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| InChIKey |
GARZUTMCULGOHF-JINQPTGOSA-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