General Information of the Compound
| Compound ID |
CP0405968
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| Compound Name |
CHEMBL3087507
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| Formula |
C22H21N3O
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| Molecular Weight |
343.43
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| Canonical SMILES |
Cc1cccc(c1)C#C[C@@]1(O)C[C@@H]2CC[C@H](C1)N2c1ncccc1C#N
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| InChI |
InChI=1S/C22H21N3O/c1-16-4-2-5-17(12-16)9-10-22(26)13-19-7-8-20(14-22)25(19)21-18(15-23)6-3-11-24-21/h2-6,11-12,19-20,26H,7-8,13-14H2,1H3/t19-,20+,22+
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| InChIKey |
QJYIQLHQBGFHDL-XVAYZXCPSA-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