General Information of the Compound
| Compound ID |
CP0415741
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| Compound Name |
CHEMBL577913
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| Formula |
C22H28F3N5O
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| Molecular Weight |
435.494
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| Canonical SMILES |
CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cccc(c3)C(F)(F)F)CC2)ncc1C
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| InChI |
InChI=1S/C22H28F3N5O/c1-14-12-27-21(29-19(14)30(2)3)28-18-9-7-15(8-10-18)13-26-20(31)16-5-4-6-17(11-16)22(23,24)25/h4-6,11-12,15,18H,7-10,13H2,1-3H3,(H,26,31)(H,27,28,29)/t15-,18+
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| InChIKey |
FKYPUBARQZUEOV-RHNCMZPLSA-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