General Information of the Compound
| Compound ID |
CP0485535
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| Compound Name |
CHEMBL568183
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| Formula |
C21H23F6N5O
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| Molecular Weight |
475.437
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| Canonical SMILES |
Cc1cnc(N[C@@H]2CC[C@H](CNC(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)CC2)nc1N
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| InChI |
InChI=1S/C21H23F6N5O/c1-11-9-30-19(32-17(11)28)31-16-4-2-12(3-5-16)10-29-18(33)13-6-14(20(22,23)24)8-15(7-13)21(25,26)27/h6-9,12,16H,2-5,10H2,1H3,(H,29,33)(H3,28,30,31,32)/t12-,16+
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| InChIKey |
KGTNZXADCSQBFL-DRQUAOQDSA-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