General Information of the Compound
| Compound ID |
CP0451343
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| Compound Name |
US9428460, 28
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| Formula |
C24H22FN3O2
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| Molecular Weight |
403.457
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| Canonical SMILES |
Cc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N
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| InChI |
InChI=1S/C24H22FN3O2/c1-15-5-6-16(13-21(15)25)24(29)28-18-7-9-19(10-8-18)30-22-11-12-27-23-17(14-26)3-2-4-20(22)23/h2-6,11-13,18-19H,7-10H2,1H3,(H,28,29)/t18-,19-
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| InChIKey |
GZACDNAICNLZMR-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