General Information of the Compound
| Compound ID |
CP0219625
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| Compound Name |
CHEMBL4279376
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| Formula |
C22H26N6
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| Molecular Weight |
374.492
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| Canonical SMILES |
N[C@H]1[C@H]2C[C@H]3C[C@@H]1C[C@](CNc1nc(Nc4ccccc4)ncc1C#N)(C3)C2
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| InChI |
InChI=1S/C22H26N6/c23-11-17-12-25-21(27-18-4-2-1-3-5-18)28-20(17)26-13-22-8-14-6-15(9-22)19(24)16(7-14)10-22/h1-5,12,14-16,19H,6-10,13,24H2,(H2,25,26,27,28)/t14-,15-,16+,19-,22-
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| InChIKey |
WANZFSILBGGFDI-HQXCZDPFSA-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