General Information of the Compound
| Compound ID |
CP0485493
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| Compound Name |
US10077266, Example 22
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| Structure |
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| Formula |
C27H36F2N6O2
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| Molecular Weight |
514.621
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| Canonical SMILES |
CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1ccc(F)cc1F)C(=O)[C@@H]1CCCN1C
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| InChI |
InChI=1S/C27H36F2N6O2/c1-17(2)30-25-26(34-12-8-19(9-13-34)37-24-7-6-18(28)15-20(24)29)32-21-10-14-35(16-22(21)31-25)27(36)23-5-4-11-33(23)3/h6-7,15,17,19,23H,4-5,8-14,16H2,1-3H3,(H,30,31)/t23-/m0/s1
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| InChIKey |
FOEDAKAYIRFINY-QHCPKHFHSA-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