General Information of the Compound
| Compound ID |
CP0405438
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| Compound Name |
tert-butyl N-[2-(3,4-dimethoxyphenyl)-2-[1,3-dioxo-4-[4-[(1S)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]ethyl]carbamate
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| Structure |
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| Formula |
C35H42N4O6
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| Molecular Weight |
614.743
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| Canonical SMILES |
COc1ccc(cc1OC)C(CNC(=O)OC(C)(C)C)N1C(=O)c2cccc(N3CCN(CC3)[C@@H](C)c3ccccc3)c2C1=O
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| InChI |
InChI=1S/C35H42N4O6/c1-23(24-11-8-7-9-12-24)37-17-19-38(20-18-37)27-14-10-13-26-31(27)33(41)39(32(26)40)28(22-36-34(42)45-35(2,3)4)25-15-16-29(43-5)30(21-25)44-6/h7-16,21,23,28H,17-20,22H2,1-6H3,(H,36,42)/t23-,28?/m0/s1
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| InChIKey |
PDSUGZQHFWZCJV-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