General Information of the Compound
| Compound ID |
CP0538418
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| Compound Name |
CHEMBL3740844
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| Formula |
C20H28N4O
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| Molecular Weight |
340.471
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| Canonical SMILES |
CC(C)N1C[C@H]2[C@H](CNC(=O)c3nc(C(C)C)n4ccccc34)[C@H]2C1
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| InChI |
InChI=1S/C20H28N4O/c1-12(2)19-22-18(17-7-5-6-8-24(17)19)20(25)21-9-14-15-10-23(13(3)4)11-16(14)15/h5-8,12-16H,9-11H2,1-4H3,(H,21,25)/t14-,15-,16+
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| InChIKey |
SZYHHXMEWRCMLP-PHZGNYQRSA-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