General Information of the Compound
| Compound ID |
CP0531356
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| Compound Name |
CHEMBL4786172
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| Formula |
C21H24N4O
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| Molecular Weight |
348.45
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| Canonical SMILES |
Cc1cc(no1)[C@H]1CC[C@@H](CC1)c1nnc2CCCc3ccccc3-n12
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| InChI |
InChI=1S/C21H24N4O/c1-14-13-18(24-26-14)15-9-11-17(12-10-15)21-23-22-20-8-4-6-16-5-2-3-7-19(16)25(20)21/h2-3,5,7,13,15,17H,4,6,8-12H2,1H3/t15-,17-
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| InChIKey |
MIKFJIZJMYELPB-JCNLHEQBSA-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