General Information of the Compound
| Compound ID |
CP0568422
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| Compound Name |
US10806720, Compound 1008
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| Structure |
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| Formula |
C14H13ClN4O2
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| Molecular Weight |
304.737
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| Canonical SMILES |
C[C@](O)(Cn1ccnc1)C(=O)Nc1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C14H13ClN4O2/c1-14(21,8-19-5-4-17-9-19)13(20)18-11-3-2-10(7-16)12(15)6-11/h2-6,9,21H,8H2,1H3,(H,18,20)/t14-/m0/s1
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| InChIKey |
BBWRLVHACPDSNA-AWEZNQCLSA-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