General Information of the Compound
| Compound ID |
CP0493002
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| Compound Name |
US9481682, 211
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| Structure |
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| Formula |
C28H22ClF6N7O2
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| Molecular Weight |
637.972
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| Canonical SMILES |
Nc1ncc(n2c(nc(-c3ccc(cc3Cl)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1)C(F)(F)F
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| InChI |
InChI=1S/C28H22ClF6N7O2/c29-18-9-13(26(44)39-20-10-15(7-8-37-20)27(30,31)32)2-5-17(18)22-23-24(36)38-11-19(28(33,34)35)42(23)25(40-22)14-1-3-16-4-6-21(43)41(16)12-14/h2,5,7-11,14,16H,1,3-4,6,12H2,(H2,36,38)(H,37,39,44)/t14-,16+/m1/s1
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| InChIKey |
GEMLYYAOFJOQFS-ZBFHGGJFSA-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