General Information of the Compound
| Compound ID |
CP0249946
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| Compound Name |
US9409895, 35
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| Structure |
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| Formula |
C19H23Cl2N5O3
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| Molecular Weight |
440.331
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| Canonical SMILES |
CN(CCC1CCN(CC1)C(=O)OCc1cc(Cl)cc(Cl)c1)C(=O)c1c[nH]nn1
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| InChI |
InChI=1S/C19H23Cl2N5O3/c1-25(18(27)17-11-22-24-23-17)5-2-13-3-6-26(7-4-13)19(28)29-12-14-8-15(20)10-16(21)9-14/h8-11,13H,2-7,12H2,1H3,(H,22,23,24)
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| InChIKey |
UUZWKHDGRRCFCC-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