General Information of the Compound
| Compound ID |
CP0473429
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| Compound Name |
CHEMBL3087505
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| Formula |
C20H24N4O
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| Molecular Weight |
336.439
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| Canonical SMILES |
CN(C)C(=N/C#N)\N1[C@H]2CC[C@@H]1C[C@](O)(C2)C#Cc1cccc(C)c1
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| InChI |
InChI=1S/C20H24N4O/c1-15-5-4-6-16(11-15)9-10-20(25)12-17-7-8-18(13-20)24(17)19(22-14-21)23(2)3/h4-6,11,17-18,25H,7-8,12-13H2,1-3H3/b22-19+/t17-,18+,20+
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| InChIKey |
MJGIIYBLRIBHES-BNCBEYCFSA-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