General Information of the Compound
| Compound ID |
CP0252962
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| Compound Name |
CHEMBL490427
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| Formula |
C23H20N4O3
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| Molecular Weight |
400.438
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| Canonical SMILES |
Cc1nnc(o1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C23H20N4O3/c1-13-26-27-21(29-13)15-6-7-18-19(12-15)25-20(24-18)14-8-10-23(11-9-14)17-5-3-2-4-16(17)22(28)30-23/h2-7,12,14H,8-11H2,1H3,(H,24,25)/t14-,23-
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| InChIKey |
PZBREWORDFEWJT-RJSOSXLCSA-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