General Information of the Compound
| Compound ID |
CP0565751
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| Compound Name |
US9428460, 30
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| Formula |
C23H19F2N3O2
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| Molecular Weight |
407.42
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| Canonical SMILES |
Fc1cc(F)cc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N
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| InChI |
InChI=1S/C23H19F2N3O2/c24-16-10-15(11-17(25)12-16)23(29)28-18-4-6-19(7-5-18)30-21-8-9-27-22-14(13-26)2-1-3-20(21)22/h1-3,8-12,18-19H,4-7H2,(H,28,29)/t18-,19-
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| InChIKey |
ZAPKMVNTBKOLHE-WGSAOQKQSA-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