General Information of the Compound
| Compound ID |
CP0247191
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| Compound Name |
CHEMBL521750
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| Formula |
C22H20N6O2
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| Molecular Weight |
400.442
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| Canonical SMILES |
Cn1nnc(n1)-c1ccc2[nH]c(nc2c1)[C@H]1CC[C@@]2(CC1)OC(=O)c1ccccc21
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| InChI |
InChI=1S/C22H20N6O2/c1-28-26-20(25-27-28)14-6-7-17-18(12-14)24-19(23-17)13-8-10-22(11-9-13)16-5-3-2-4-15(16)21(29)30-22/h2-7,12-13H,8-11H2,1H3,(H,23,24)/t13-,22-
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| InChIKey |
QDWQZAOLQXFPAV-MRAWUWRDSA-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