General Information of the Compound
| Compound ID |
CP0543583
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| Compound Name |
CHEMBL5085396
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| Formula |
C21H22N4O3
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| Molecular Weight |
378.432
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| Canonical SMILES |
C1[C@@H](C[C@@H]1c1ncco1)Oc1cc(ncn1)N1CCO[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C21H22N4O3/c1-2-4-15(5-3-1)18-13-25(7-9-26-18)19-12-20(24-14-23-19)28-17-10-16(11-17)21-22-6-8-27-21/h1-6,8,12,14,16-18H,7,9-11,13H2/t16-,17+,18-/m1/s1
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| InChIKey |
QQAGCVNOIMWKAC-FGTMMUONSA-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