General Information of the Compound
| Compound ID |
CP0518962
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| Compound Name |
US9199981, F127
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| Formula |
C26H28N6O4
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| Molecular Weight |
488.548
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccccn12)-c1noc(n1)[C@H]1C[C@@H](C1)NC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C26H28N6O4/c1-15-8-9-16(13-19(15)29-23(33)20-14-27-21-7-5-6-10-32(20)21)22-30-24(36-31-22)17-11-18(12-17)28-25(34)35-26(2,3)4/h5-10,13-14,17-18H,11-12H2,1-4H3,(H,28,34)(H,29,33)/t17-,18-
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| InChIKey |
FOMSBAZRUZJZMW-IYARVYRRSA-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