General Information of the Compound
| Compound ID |
CP0552526
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| Compound Name |
CHEMBL4129958
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| Formula |
C19H22F3N5O
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| Molecular Weight |
393.413
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| Canonical SMILES |
CCn1nc(cc1[C@@H]1[C@H]2CN(C[C@@H]12)C1COC1)-c1cnc(N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C19H22F3N5O/c1-2-27-16(17-12-6-26(7-13(12)17)11-8-28-9-11)4-15(25-27)10-3-14(19(20,21)22)18(23)24-5-10/h3-5,11-13,17H,2,6-9H2,1H3,(H2,23,24)/t12-,13+,17+
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| InChIKey |
XFCQXLRAPPNJHD-LAQFHYBYSA-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