General Information of the Compound
| Compound ID |
CP0559274
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| Compound Name |
US9481682, 106
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| Structure |
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| Formula |
C30H27N7O2
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| Molecular Weight |
517.593
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc4ccccc4cn3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C30H27N7O2/c31-28-27-26(35-29(36(27)14-13-32-28)22-9-10-23-11-12-25(38)37(23)17-22)18-5-7-19(8-6-18)30(39)34-24-15-20-3-1-2-4-21(20)16-33-24/h1-8,13-16,22-23H,9-12,17H2,(H2,31,32)(H,33,34,39)/t22-,23+/m1/s1
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| InChIKey |
PSCLFLZFONSYNH-PKTZIBPZSA-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