General Information of the Compound
| Compound ID |
CP0341631
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| Compound Name |
CHEMBL585851
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| Formula |
C23H20N4O3
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| Molecular Weight |
400.438
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| Canonical SMILES |
O=C(Nc1ncc(cn1)-c1ccccc1)[C@H]1CC[C@@]2(CC1)OC(=O)c1cccnc21
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| InChI |
InChI=1S/C23H20N4O3/c28-20(27-22-25-13-17(14-26-22)15-5-2-1-3-6-15)16-8-10-23(11-9-16)19-18(21(29)30-23)7-4-12-24-19/h1-7,12-14,16H,8-11H2,(H,25,26,27,28)/t16-,23-
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| InChIKey |
FJAKPAPUGHHPRR-QXONSOMPSA-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