General Information of the Compound
| Compound ID |
CP0122274
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| Compound Name |
CHEMBL3787436
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| Formula |
C26H32FN5O3S
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| Molecular Weight |
513.639
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| Canonical SMILES |
Nc1ncnc2n(cc(-c3cc(OC[C@@H]4CCCO4)ccc3F)c12)[C@@H]1C[C@H](CN2CC[S+]([O-])CC2)C1
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| InChI |
InChI=1S/C26H32FN5O3S/c27-23-4-3-19(35-15-20-2-1-7-34-20)12-21(23)22-14-32(26-24(22)25(28)29-16-30-26)18-10-17(11-18)13-31-5-8-36(33)9-6-31/h3-4,12,14,16-18,20H,1-2,5-11,13,15H2,(H2,28,29,30)/t17-,18+,20-/m0/s1
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| InChIKey |
IBNKSXIAHXMVFB-NSHGMRRFSA-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