General Information of the Compound
| Compound ID |
CP0942496
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| Compound Name |
SID131447309
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| Structure |
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| Formula |
C27H28N2O3
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| Molecular Weight |
428.532
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| Canonical SMILES |
COc1ccccc1C#Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCCCC3)[C@H]2C#N)cc1
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| InChI |
InChI=1S/C27H28N2O3/c1-32-25-10-6-5-7-20(25)14-11-19-12-15-21(16-13-19)26-23(17-28)29(24(26)18-30)27(31)22-8-3-2-4-9-22/h5-7,10,12-13,15-16,22-24,26,30H,2-4,8-9,18H2,1H3/t23-,24+,26+/m0/s1
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| InChIKey |
KQRWKULMHJBAKK-BFLUCZKCSA-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