General Information of the Compound
| Compound ID |
CP0761578
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| Compound Name |
(S)-7-(2-{2-[(1E)-3,3-Dimethylpenten-1-yl]-5-methyloxazol-4-yl}ethoxy)-2-[(2E,4E)-hexadienoyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid tert-butylamine salt
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| Structure |
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| Formula |
C33H47N3O5
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| Molecular Weight |
565.755
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| Canonical SMILES |
C/C=C/C=C/C(=O)N1Cc2cc(OCCc3nc(/C=C/C(C)(C)CC)oc3C)ccc2C[C@H]1C(=O)O.CC(C)(C)N
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| InChI |
InChI=1S/C29H36N2O5.C4H11N/c1-6-8-9-10-27(32)31-19-22-17-23(12-11-21(22)18-25(31)28(33)34)35-16-14-24-20(3)36-26(30-24)13-15-29(4,5)7-2;1-4(2,3)5/h6,8-13,15,17,25H,7,14,16,18-19H2,1-5H3,(H,33,34);5H2,1-3H3/b8-6+,10-9+,15-13+;/t25-;/m0./s1
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| InChIKey |
PKBVKAPKPOKITO-PRGXZJRWSA-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