General Information of the Compound
| Compound ID |
CP0374115
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| Compound Name |
N-[(4R)-4-(3,4-dimethoxyphenyl)-4-[1,3-dioxo-4-[4-[(1R)-1-phenylethyl]piperazin-1-yl]isoindol-2-yl]butyl]-5-methyl-1,2-oxazole-4-carboxamide
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| Structure |
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| Formula |
C37H41N5O6
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| Molecular Weight |
651.764
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| Canonical SMILES |
COc1ccc(cc1OC)[C@@H](CCCNC(=O)c1cnoc1C)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
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| InChI |
InChI=1S/C37H41N5O6/c1-24(26-10-6-5-7-11-26)40-18-20-41(21-19-40)31-13-8-12-28-34(31)37(45)42(36(28)44)30(27-15-16-32(46-3)33(22-27)47-4)14-9-17-38-35(43)29-23-39-48-25(29)2/h5-8,10-13,15-16,22-24,30H,9,14,17-21H2,1-4H3,(H,38,43)/t24-,30-/m1/s1
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| InChIKey |
WCRLPADNCYTVRC-AYWVHJORSA-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