General Information of the Compound
| Compound ID |
CP0463747
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| Compound Name |
CHEMBL1082202
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| Formula |
C27H36F3N5O
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| Molecular Weight |
503.613
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| Canonical SMILES |
Cc1nnc(C)n1[C@H]1C[C@H]2CN(CC[C@H](NC(=O)C3CCC(F)(F)CC3)c3cccc(F)c3)C[C@H]2C1
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| InChI |
InChI=1S/C27H36F3N5O/c1-17-32-33-18(2)35(17)24-13-21-15-34(16-22(21)14-24)11-8-25(20-4-3-5-23(28)12-20)31-26(36)19-6-9-27(29,30)10-7-19/h3-5,12,19,21-22,24-25H,6-11,13-16H2,1-2H3,(H,31,36)/t21-,22+,24-,25-/m0/s1
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| InChIKey |
FNBMOVWCGOAXSU-VRUIKYSZSA-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