General Information of the Compound
| Compound ID |
CP0395359
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| Compound Name |
CHEMBL1916252
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| Formula |
C22H24ClN5O2
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| Molecular Weight |
425.92
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| Canonical SMILES |
CC1(C)[C@H](NC(=O)c2ccn(CCC#N)n2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C22H24ClN5O2/c1-21(2)19(26-18(29)17-8-11-28(27-17)10-5-9-24)22(3,4)20(21)30-15-7-6-14(13-25)16(23)12-15/h6-8,11-12,19-20H,5,10H2,1-4H3,(H,26,29)/t19-,20-
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| InChIKey |
PKZKNOIUSVWNMX-MXVIHJGJSA-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