General Information of the Compound
| Compound ID |
CP0399483
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| Compound Name |
US9193726, 41
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| Structure |
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| Formula |
C23H20ClF3N4O3
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| Molecular Weight |
492.885
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| Canonical SMILES |
Cc1cn(cn1)-c1ccc2C(=O)N(CCn2c1=O)[C@@H]1CC[C@H]1Oc1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C23H20ClF3N4O3/c1-13-11-29(12-28-13)16-5-6-17-22(33)30(9-10-31(17)21(16)32)15-7-8-18(15)34-19-4-2-3-14(20(19)24)23(25,26)27/h2-6,11-12,15,18H,7-10H2,1H3/t15-,18-/m1/s1
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| InChIKey |
SUHGMQUPYRSDJN-CRAIPNDOSA-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