General Information of the Compound
| Compound ID |
CP0494888
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| Compound Name |
US9346786, 26
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| Structure |
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| Formula |
C31H32ClFN6O3
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| Molecular Weight |
591.087
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| Canonical SMILES |
CC(C)N([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(nn1)C#N)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C31H32ClFN6O3/c1-20(2)39(31(41)42-26-10-7-24(33)8-11-26)28-19-38(18-27(28)21-3-5-23(32)6-4-21)30(40)22-13-15-37(16-14-22)29-12-9-25(17-34)35-36-29/h3-12,20,22,27-28H,13-16,18-19H2,1-2H3/t27-,28+/m0/s1
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| InChIKey |
FEGXKXZCUXBIJG-WUFINQPMSA-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