General Information of the Compound
| Compound ID |
CP0575518
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| Compound Name |
US10189835, Compound 595
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| Structure |
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| Formula |
C18H22ClN5O3
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| Molecular Weight |
391.859
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| Canonical SMILES |
CON(C(C)C)C(=O)c1n[nH]c2CCN(Cc12)C(=O)Nc1cccc(Cl)c1
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| InChI |
InChI=1S/C18H22ClN5O3/c1-11(2)24(27-3)17(25)16-14-10-23(8-7-15(14)21-22-16)18(26)20-13-6-4-5-12(19)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,20,26)(H,21,22)
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| InChIKey |
PQQPEAPWNBGNFG-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