General Information of the Compound
| Compound ID |
CP0413240
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| Compound Name |
US9206164, 66
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| Structure |
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| Formula |
C21H18Cl2N4O2
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| Molecular Weight |
429.307
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| Canonical SMILES |
Cc1nn(Cc2ccc(cc2)-c2nc3c(Cl)cc(Cl)cc3[nH]2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C21H18Cl2N4O2/c1-11-16(9-19(28)29)12(2)27(26-11)10-13-3-5-14(6-4-13)21-24-18-8-15(22)7-17(23)20(18)25-21/h3-8H,9-10H2,1-2H3,(H,24,25)(H,28,29)
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| InChIKey |
ALFWSWHZSAVRAP-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