General Information of the Compound
| Compound ID |
CP0497098
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| Compound Name |
CHEMBL570633
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| Formula |
C24H21N3O3
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| Molecular Weight |
399.45
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| Canonical SMILES |
O=C(Nc1ncc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C24H21N3O3/c28-21(27-23-25-14-18(15-26-23)16-6-2-1-3-7-16)17-10-12-24(13-11-17)20-9-5-4-8-19(20)22(29)30-24/h1-9,14-15,17H,10-13H2,(H,25,26,27,28)/t17-,24-
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| InChIKey |
SBAQCVSNQSZXAF-WVQHILGCSA-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