General Information of the Compound
| Compound ID |
CP0726657
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| Compound Name |
(S)-7-(2-{5-Methyl-2-[(1E)-5-methylhexen-1-yl]oxazol-4-yl}ethoxy)-2-[(2E)-3-(thiophen-2-yl)acryloyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid tert-butylamine salt
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| Structure |
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| Formula |
C34H45N3O5S
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| Molecular Weight |
607.817
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| Canonical SMILES |
CC(C)(C)N.Cc1oc(/C=C/CCC(C)C)nc1CCOc1ccc2c(c1)CN(C(=O)/C=C/c1cccs1)[C@H](C(=O)O)C2
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| InChI |
InChI=1S/C30H34N2O5S.C4H11N/c1-20(2)7-4-5-9-28-31-26(21(3)37-28)14-15-36-24-11-10-22-18-27(30(34)35)32(19-23(22)17-24)29(33)13-12-25-8-6-16-38-25;1-4(2,3)5/h5-6,8-13,16-17,20,27H,4,7,14-15,18-19H2,1-3H3,(H,34,35);5H2,1-3H3/b9-5+,13-12+;/t27-;/m0./s1
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| InChIKey |
OANQFNXPYLKBLD-DTOOJYAISA-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