General Information of the Compound
| Compound ID |
CP0406997
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| Compound Name |
CHEMBL3739931
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| Formula |
C21H28N4O
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| Molecular Weight |
352.482
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| Canonical SMILES |
CC(C)c1nc(C(=O)NC[C@H]2[C@@H]3CN(C[C@H]23)C2CCC2)c2ccccn12
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| InChI |
InChI=1S/C21H28N4O/c1-13(2)20-23-19(18-8-3-4-9-25(18)20)21(26)22-10-15-16-11-24(12-17(15)16)14-6-5-7-14/h3-4,8-9,13-17H,5-7,10-12H2,1-2H3,(H,22,26)/t15-,16-,17+
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| InChIKey |
YTZZHDCFTZGYDV-OSYLJGHBSA-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