General Information of the Compound
| Compound ID |
CP0570546
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| Compound Name |
US9315498, 90
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| Structure |
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| Formula |
C19H18ClN3O
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| Molecular Weight |
339.826
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| Canonical SMILES |
CC1(C)CCN(C(=O)C1)c1ccc(cn1)C#Cc1cncc(Cl)c1
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| InChI |
InChI=1S/C19H18ClN3O/c1-19(2)7-8-23(18(24)10-19)17-6-5-14(12-22-17)3-4-15-9-16(20)13-21-11-15/h5-6,9,11-13H,7-8,10H2,1-2H3
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| InChIKey |
RTNMVIBTUPXHHL-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