General Information of the Compound
| Compound ID |
CP0442157
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| Compound Name |
US8653125, Ia-40
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| Formula |
C19H18Cl2N4O2
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| Molecular Weight |
405.285
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| Canonical SMILES |
Clc1ccc(cc1Cl)-c1c[nH]c(n1)[C@@H]1CC[C@@H](CC1)NC(=O)c1ccon1
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| InChI |
InChI=1S/C19H18Cl2N4O2/c20-14-6-3-12(9-15(14)21)17-10-22-18(24-17)11-1-4-13(5-2-11)23-19(26)16-7-8-27-25-16/h3,6-11,13H,1-2,4-5H2,(H,22,24)(H,23,26)/t11-,13+
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| InChIKey |
CWRPSMSLGXTWCU-BJHJDKERSA-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