General Information of the Compound
| Compound ID |
CP0050822
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| Compound Name |
7-[(1E)-1-(methoxyimino)ethyl]-19-methyl-3-(2-methylpropyl)-3,13,19,20-tetraazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,21}]tricosa-1(16),2(10),4,6,8,11(15),17,20-octaen-14-one
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| Structure |
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| Formula |
C27H29N5O2
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| Molecular Weight |
455.562
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| Canonical SMILES |
CO\N=C(/C)c1ccc2n(CC(C)C)c3c4CCc5nn(C)cc5-c4c4C(=O)NCc4c3c2c1
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| InChI |
InChI=1S/C27H29N5O2/c1-14(2)12-32-22-9-6-16(15(3)30-34-5)10-18(22)24-19-11-28-27(33)25(19)23-17(26(24)32)7-8-21-20(23)13-31(4)29-21/h6,9-10,13-14H,7-8,11-12H2,1-5H3,(H,28,33)/b30-15+
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| InChIKey |
UGGGUUOMJJSLOR-FJEPWZHXSA-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
Protein ID: PT00864, Vascular endothelial growth factor receptor 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000045 | A-375 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 70 nM
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