General Information of the Compound
| Compound ID |
CP0550970
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| Compound Name |
US8618303, 10
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| Structure |
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| Formula |
C32H32ClFN4O3
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| Molecular Weight |
575.084
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| Canonical SMILES |
CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C32H32ClFN4O3/c1-32(36(2)31(40)41-28-13-9-26(34)10-14-28)21-38(20-29(32)23-5-7-25(33)8-6-23)30(39)24-15-17-37(18-16-24)27-11-3-22(19-35)4-12-27/h3-14,24,29H,15-18,20-21H2,1-2H3/t29-,32+/m1/s1
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| InChIKey |
ASCLKPXIARRCAB-PPTMTGTBSA-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