General Information of the Compound
| Compound ID |
CP0373776
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| Compound Name |
tert-butyl N-[(5R)-5-(3,4-dimethoxyphenyl)-5-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]pentyl]carbamate
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| Structure |
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| Formula |
C38H48N4O6
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| Molecular Weight |
656.824
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| Canonical SMILES |
COc1ccc(cc1OC)[C@@H](CCCCNC(=O)OC(C)(C)C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
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| InChI |
InChI=1S/C38H48N4O6/c1-26(27-13-8-7-9-14-27)40-21-23-41(24-22-40)31-17-12-15-29-34(31)36(44)42(35(29)43)30(28-18-19-32(46-5)33(25-28)47-6)16-10-11-20-39-37(45)48-38(2,3)4/h7-9,12-15,17-19,25-26,30H,10-11,16,20-24H2,1-6H3,(H,39,45)/t26-,30-/m1/s1
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| InChIKey |
KOLWWPAODLKMSJ-PDDLMNHVSA-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