General Information of the Compound
| Compound ID |
CP0563784
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| Compound Name |
US9346829, 16
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| Formula |
C20H22N4O3
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| Molecular Weight |
366.421
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| Canonical SMILES |
Cn1ccc(n1)-n1cc(C(=O)O[C@@H]2C[C@@H]3COC[C@H](C2)N3)c2ccccc12
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| InChI |
InChI=1S/C20H22N4O3/c1-23-7-6-19(22-23)24-10-17(16-4-2-3-5-18(16)24)20(25)27-15-8-13-11-26-12-14(9-15)21-13/h2-7,10,13-15,21H,8-9,11-12H2,1H3/t13-,14+,15-
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| InChIKey |
PQMAPCDWPZXSLS-QDMKHBRRSA-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