General Information of the Compound
| Compound ID |
CP0194105
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| Compound Name |
CHEMBL219081
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| Formula |
C22H32N4O2
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| Molecular Weight |
384.524
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| Canonical SMILES |
CNc1ccc(cn1)C(C)(C)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2
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| InChI |
InChI=1S/C22H32N4O2/c1-21(2,16-4-5-18(24-3)25-12-16)20(28)26-19-14-6-13-7-15(19)10-22(8-13,9-14)11-17(23)27/h4-5,12-15,19H,6-11H2,1-3H3,(H2,23,27)(H,24,25)(H,26,28)/t13-,14-,15?,19+,22+/m0/s1
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| InChIKey |
WRLITWGJOVVDNY-LDTIKURCSA-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