General Information of the Compound
| Compound ID |
CP0552495
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| Compound Name |
US9481682, 168
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| Structure |
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| Formula |
C29H28FN7O2
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| Molecular Weight |
525.588
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| Canonical SMILES |
Nc1ncc(F)n2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C29H28FN7O2/c30-22-14-33-27(31)26-25(35-28(37(22)26)20-7-8-21-9-10-24(38)36(21)15-20)17-3-5-18(6-4-17)29(39)34-23-13-19(11-12-32-23)16-1-2-16/h3-6,11-14,16,20-21H,1-2,7-10,15H2,(H2,31,33)(H,32,34,39)/t20-,21+/m1/s1
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| InChIKey |
OWXWSGZAOZSENP-RTWAWAEBSA-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