General Information of the Compound
| Compound ID |
CP0949670
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| Compound Name |
SID131447059
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| Structure |
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| Formula |
C24H21N3O3
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| Molecular Weight |
399.45
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| Canonical SMILES |
COc1cccc(-c2ccc([C@H]3[C@@H](CO)N(C(=O)c4ccccn4)[C@H]3C#N)cc2)c1
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| InChI |
InChI=1S/C24H21N3O3/c1-30-19-6-4-5-18(13-19)16-8-10-17(11-9-16)23-21(14-25)27(22(23)15-28)24(29)20-7-2-3-12-26-20/h2-13,21-23,28H,15H2,1H3/t21-,22+,23+/m0/s1
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| InChIKey |
GFCHHJHQHLJENX-YTFSRNRJSA-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