General Information of the Compound
| Compound ID |
CP0738901
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| Compound Name |
(S)-2-(3-Cyclopropylacryloyl)-7-(2-{5-methyl-2-[(1E)-5-methylhexen-1-yl]oxazol-4-yl}ethoxy)-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 |
CC(C)(C)N.Cc1oc(/C=C/CCC(C)C)nc1CCOc1ccc2c(c1)CN(C(=O)/C=C/C1CC1)[C@H](C(=O)O)C2
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| InChI |
InChI=1S/C29H36N2O5.C4H11N/c1-19(2)6-4-5-7-27-30-25(20(3)36-27)14-15-35-24-12-11-22-17-26(29(33)34)31(18-23(22)16-24)28(32)13-10-21-8-9-21;1-4(2,3)5/h5,7,10-13,16,19,21,26H,4,6,8-9,14-15,17-18H2,1-3H3,(H,33,34);5H2,1-3H3/b7-5+,13-10+;/t26-;/m0./s1
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| InChIKey |
SYGFAYUPSRRFQD-NYEZBPTESA-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