General Information of the Compound
| Compound ID |
CP0865648
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| Compound Name |
US9216968, 150
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| Structure |
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| Formula |
C27H23ClF3N5O3
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| Molecular Weight |
557.96
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N3CC[C@H](O)C3)nc12
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| InChI |
InChI=1S/C27H23ClF3N5O3/c1-14-20(28)7-4-8-21(14)33-25(39)18-11-15(32-24(38)17-5-2-3-6-19(17)27(29,30)31)12-22-23(18)35-26(34-22)36-10-9-16(37)13-36/h2-8,11-12,16,37H,9-10,13H2,1H3,(H,32,38)(H,33,39)(H,34,35)/t16-/m0/s1
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| InChIKey |
KGHNFYPECLKWFU-INIZCTEOSA-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