General Information of the Compound
| Compound ID |
CP0373701
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| Compound Name |
CHEMBL1087028
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| Formula |
C26H36FN5O2
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| Molecular Weight |
469.605
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| Canonical SMILES |
Cc1nnc(C)n1[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCOCC1)c1cccc(F)c1
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| InChI |
InChI=1S/C26H36FN5O2/c1-17-29-30-18(2)32(17)24-15-22-6-7-23(16-24)31(22)11-8-25(20-4-3-5-21(27)14-20)28-26(33)19-9-12-34-13-10-19/h3-5,14,19,22-25H,6-13,15-16H2,1-2H3,(H,28,33)/t22-,23+,24+,25-/m0/s1
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| InChIKey |
JTGYBUPIVTYVRH-LIONHTAISA-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