General Information of the Compound
| Compound ID |
CP0532732
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| Compound Name |
US10266535, Compound 44
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| Structure |
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| Formula |
C26H29N7O3
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| Molecular Weight |
487.564
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| Canonical SMILES |
CC(O)[C@@H](N)C(=O)N1CCC[C@H](C1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12
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| InChI |
InChI=1S/C26H29N7O3/c1-16(34)22(27)26(35)32-13-5-6-18(14-32)33-25-21(24(28)29-15-30-25)23(31-33)17-9-11-20(12-10-17)36-19-7-3-2-4-8-19/h2-4,7-12,15-16,18,22,34H,5-6,13-14,27H2,1H3,(H2,28,29,30)/t16?,18-,22-/m1/s1
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| InChIKey |
INHDKUIENWRTPW-AGVRXMCOSA-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