General Information of the Compound
| Compound ID |
CP0550969
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| Compound Name |
US8618303, 6
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| Structure |
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| Formula |
C25H24ClFN4O3
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| Molecular Weight |
482.943
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| Canonical SMILES |
CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)c1cnnc(C)c1
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| InChI |
InChI=1S/C25H24ClFN4O3/c1-16-12-18(13-28-29-16)23(32)31-14-22(17-4-6-19(26)7-5-17)25(2,15-31)30(3)24(33)34-21-10-8-20(27)9-11-21/h4-13,22H,14-15H2,1-3H3/t22-,25+/m1/s1
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| InChIKey |
JNVAGBAJJIVGHG-RDGATRHJSA-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