General Information of the Compound
| Compound ID |
CP0488845
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| Compound Name |
US9212171, 45
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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 |
CN1C(=O)[C@@H](CC1(C)C)c1ccc(cn1)C#Cc1ccnc(Cl)c1
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| InChI |
InChI=1S/C19H18ClN3O/c1-19(2)11-15(18(24)23(19)3)16-7-6-14(12-22-16)5-4-13-8-9-21-17(20)10-13/h6-10,12,15H,11H2,1-3H3/t15-/m0/s1
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| InChIKey |
FMKKDJPXKXYYAG-HNNXBMFYSA-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