General Information of the Compound
| Compound ID |
CP0519003
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| Compound Name |
US9216968, 192
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| Structure |
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| Formula |
C27H26Cl3N5O3
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| Molecular Weight |
574.896
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| Canonical SMILES |
COC(C)(C)CNc1nc2c(cc(NC(=O)c3cc(Cl)ccc3Cl)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C27H26Cl3N5O3/c1-14-19(29)6-5-7-21(14)33-25(37)18-11-16(32-24(36)17-10-15(28)8-9-20(17)30)12-22-23(18)35-26(34-22)31-13-27(2,3)38-4/h5-12H,13H2,1-4H3,(H,32,36)(H,33,37)(H2,31,34,35)
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| InChIKey |
OKCFNUDLGHKABZ-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