General Information of the Compound
| Compound ID |
CP0550139
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| Compound Name |
CHEMBL3108948
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| Formula |
C27H42N2O5
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| Molecular Weight |
474.642
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| Canonical SMILES |
CNC(=O)O[C@@H](C)\C=C/C(=O)N[C@@H]1CC[C@H](C\C=C(/C)\C=C\[C@@H]2C[C@]3(CO3)CC(C)(C)O2)CC1
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| InChI |
InChI=1S/C27H42N2O5/c1-19(7-14-23-16-27(18-32-27)17-26(3,4)34-23)6-9-21-10-12-22(13-11-21)29-24(30)15-8-20(2)33-25(31)28-5/h6-8,14-15,20-23H,9-13,16-18H2,1-5H3,(H,28,31)(H,29,30)/b14-7+,15-8-,19-6+/t20-,21-,22+,23+,27+/m0/s1
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| InChIKey |
VTGAROJAXFMCLD-IYPHXZOMSA-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