General Information of the Compound
| Compound ID |
CP0398230
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| Compound Name |
methyl (1S,12E,14R,15R,18S)-15-ethyl-12-[(4-methoxyphenyl)methoxycarbonylhydrazinylidene]-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraene-18-carboxylate
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| Structure |
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| Formula |
C30H36N4O5
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| Molecular Weight |
532.641
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| Canonical SMILES |
CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)\C(C[C@H]1[C@@H]2C(=O)OC)=N\NC(=O)OCc1ccc(OC)cc1
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| InChI |
InChI=1S/C30H36N4O5/c1-5-19-16-34(2)26-15-23-21-8-6-7-9-24(21)31-28(23)25(14-22(19)27(26)29(35)38-4)32-33-30(36)39-17-18-10-12-20(37-3)13-11-18/h6-13,19,22,26-27,31H,5,14-17H2,1-4H3,(H,33,36)/b32-25+/t19-,22+,26-,27-/m0/s1
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| InChIKey |
AVHYJJJTZPPAQL-KLRCYVJUSA-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