General Information of the Compound
| Compound ID |
CP0483337
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| Compound Name |
US9346829, 25
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| Formula |
C21H23F2N5O2
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| Molecular Weight |
415.444
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| Canonical SMILES |
CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cnn(c2)C(F)F)c2ccccc12
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| InChI |
InChI=1S/C21H23F2N5O2/c1-26-14-6-13(7-15(26)12-30-11-14)25-20(29)18-10-27(19-5-3-2-4-17(18)19)16-8-24-28(9-16)21(22)23/h2-5,8-10,13-15,21H,6-7,11-12H2,1H3,(H,25,29)/t13-,14-,15+
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| InChIKey |
KKCAKHUUDWQJGI-QKDCVEJESA-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