General Information of the Compound
| Compound ID |
CP0500370
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| Compound Name |
US9216968, 196
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| Structure |
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| Formula |
C28H28Cl2FN5O3
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| Molecular Weight |
572.468
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| Canonical SMILES |
COCC(C)(C)CNc1nc2c(cc(NC(=O)c3c(F)cccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C28H28Cl2FN5O3/c1-15-18(29)7-6-10-21(15)34-25(37)17-11-16(33-26(38)23-19(30)8-5-9-20(23)31)12-22-24(17)36-27(35-22)32-13-28(2,3)14-39-4/h5-12H,13-14H2,1-4H3,(H,33,38)(H,34,37)(H2,32,35,36)
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| InChIKey |
XKYQWYJLDRQEDJ-UHFFFAOYSA-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