General Information of the Compound
| Compound ID |
CP0957642
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| Compound Name |
US8614213, 19.65
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| Formula |
C23H24ClF3N4O
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| Molecular Weight |
464.919
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| Canonical SMILES |
Cc1cccc2[nH]nc(NC[C@H]3CC[C@H](NC(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)c12
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| InChI |
InChI=1S/C23H24ClF3N4O/c1-13-3-2-4-19-20(13)21(31-30-19)28-12-14-5-8-16(9-6-14)29-22(32)17-11-15(23(25,26)27)7-10-18(17)24/h2-4,7,10-11,14,16H,5-6,8-9,12H2,1H3,(H,29,32)(H2,28,30,31)/t14-,16-
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| InChIKey |
UZDGZWUQFHACPI-KOMQPUFPSA-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