General Information of the Compound
| Compound ID |
CP0438901
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| Compound Name |
US9181249, 87
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| Structure |
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| Formula |
C24H29ClFN5O2
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| Molecular Weight |
473.98
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| Canonical SMILES |
CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)C(=O)c1cc(Cl)ccc1F)C(C)=O
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| InChI |
InChI=1S/C24H29ClFN5O2/c1-14(2)27-23-24(29-20-8-11-31(15(3)32)13-21(20)28-23)30-9-6-16(7-10-30)22(33)18-12-17(25)4-5-19(18)26/h4-5,12,14,16H,6-11,13H2,1-3H3,(H,27,28)
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| InChIKey |
UGDZPENZKZLXQZ-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