General Information of the Compound
| Compound ID |
CP0131997
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| Compound Name |
CHEMBL219349
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| Formula |
C22H28N4O2
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| Molecular Weight |
380.492
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| Canonical SMILES |
CC(C)(C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2)c1ccc(cn1)C#N
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| InChI |
InChI=1S/C22H28N4O2/c1-21(2,17-4-3-13(11-23)12-25-17)20(28)26-19-15-5-14-6-16(19)9-22(7-14,8-15)10-18(24)27/h3-4,12,14-16,19H,5-10H2,1-2H3,(H2,24,27)(H,26,28)/t14-,15-,16?,19+,22+/m0/s1
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| InChIKey |
ZFKLYMBYKJMHMS-ADYSRPFESA-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