General Information of the Compound
| Compound ID |
CP0071262
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| Compound Name |
CHEMBL566075
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| Formula |
C23H27F6N5O
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| Molecular Weight |
503.491
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| Canonical SMILES |
CN(C)c1nc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)ncc1C
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| InChI |
InChI=1S/C23H27F6N5O/c1-13-11-31-21(33-19(13)34(2)3)32-18-6-4-14(5-7-18)12-30-20(35)15-8-16(22(24,25)26)10-17(9-15)23(27,28)29/h8-11,14,18H,4-7,12H2,1-3H3,(H,30,35)(H,31,32,33)/t14-,18+
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| InChIKey |
OOUPDYBXVFKJRL-UJKQEGAGSA-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