General Information of the Compound
| Compound ID |
CP0560821
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| Compound Name |
US8618303, 16
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| Structure |
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| Formula |
C32H27ClF2N2O3
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| Molecular Weight |
561.028
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| Canonical SMILES |
CN(C(=O)Oc1ccc(F)cc1)[C@@]1(C)CN(C[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(cc1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C32H27ClF2N2O3/c1-32(36(2)31(39)40-28-17-15-27(35)16-18-28)20-37(19-29(32)23-7-11-25(33)12-8-23)30(38)24-5-3-21(4-6-24)22-9-13-26(34)14-10-22/h3-18,29H,19-20H2,1-2H3/t29-,32+/m1/s1
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| InChIKey |
PZIDFZKTYXHPAI-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