General Information of the Compound
| Compound ID |
CP0930775
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| Compound Name |
US9216968, 170
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| Structure |
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| Formula |
C28H27ClF3N5O3
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| Molecular Weight |
574.003
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| Canonical SMILES |
Cc1c(Cl)cccc1NC(=O)c1cc(NC(=O)c2ccccc2C(F)(F)F)cc2[nH]c(N[C@H](CO)C(C)C)nc12
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| InChI |
InChI=1S/C28H27ClF3N5O3/c1-14(2)23(13-38)36-27-35-22-12-16(33-25(39)17-7-4-5-8-19(17)28(30,31)32)11-18(24(22)37-27)26(40)34-21-10-6-9-20(29)15(21)3/h4-12,14,23,38H,13H2,1-3H3,(H,33,39)(H,34,40)(H2,35,36,37)/t23-/m1/s1
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| InChIKey |
QJDABEDPOIRCDK-HSZRJFAPSA-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