General Information of the Compound
| Compound ID |
CP0466261
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| Compound Name |
CHEMBL4783510
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| Formula |
C19H23FN6O
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| Molecular Weight |
370.432
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| Canonical SMILES |
Cn1nc(-c2ccc(OC[C@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc12
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| InChI |
InChI=1S/C19H23FN6O/c1-26-18-14(9-23-19(22)24-18)17(25-26)12-4-7-16(15(20)8-12)27-10-11-2-5-13(21)6-3-11/h4,7-9,11,13H,2-3,5-6,10,21H2,1H3,(H2,22,23,24)/t11-,13-
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| InChIKey |
MYTYKOZIRPDGSI-AULYBMBSSA-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