General Information of the Compound
| Compound ID |
CP0494887
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| Compound Name |
US9346786, 23
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| Structure |
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| Formula |
C32H33ClFN5O3
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| Molecular Weight |
590.099
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| Canonical SMILES |
CC(C)N([C@@H]1CN(C[C@H]1c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(cn1)C#N)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C32H33ClFN5O3/c1-21(2)39(32(41)42-27-10-8-26(34)9-11-27)29-20-38(19-28(29)23-4-6-25(33)7-5-23)31(40)24-13-15-37(16-14-24)30-12-3-22(17-35)18-36-30/h3-12,18,21,24,28-29H,13-16,19-20H2,1-2H3/t28-,29+/m0/s1
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| InChIKey |
MUSZEXSQBSMKGG-URLMMPGGSA-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