General Information of the Compound
| Compound ID |
CP0467636
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| Compound Name |
US10077266, Example 35
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| Structure |
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| Formula |
C24H31F2N5O2
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| Molecular Weight |
459.541
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| Canonical SMILES |
CC(C)Nc1nc2CCN(C(C)c2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(C)=O
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| InChI |
InChI=1S/C24H31F2N5O2/c1-14(2)27-23-24(29-22-15(3)31(16(4)32)12-9-20(22)28-23)30-10-7-18(8-11-30)33-21-6-5-17(25)13-19(21)26/h5-6,13-15,18H,7-12H2,1-4H3,(H,27,28)
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| InChIKey |
ARTKLIDEGICUHA-UHFFFAOYSA-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