General Information of the Compound
| Compound ID |
CP0039847
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| Compound Name |
CHEMBL583014
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| Formula |
C22H25F6N5O
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| Molecular Weight |
489.464
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| Canonical SMILES |
CN(C)c1cc(C)nc(N[C@@H]2CC[C@@H](CC2)NC(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)n1
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| InChI |
InChI=1S/C22H25F6N5O/c1-12-8-18(33(2)3)32-20(29-12)31-17-6-4-16(5-7-17)30-19(34)13-9-14(21(23,24)25)11-15(10-13)22(26,27)28/h8-11,16-17H,4-7H2,1-3H3,(H,30,34)(H,29,31,32)/t16-,17+
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| InChIKey |
YHSRTUXPXLVIAG-CALCHBBNSA-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