General Information of the Compound
| Compound ID |
CP0541459
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| Compound Name |
CHEMBL4097089
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| Formula |
C19H28N4O2
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| Molecular Weight |
344.459
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| Canonical SMILES |
CN(C)[C@H]1CC[C@@H](CC1)Oc1ncnc2[nH]cc(C3CCOCC3)c12
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| InChI |
InChI=1S/C19H28N4O2/c1-23(2)14-3-5-15(6-4-14)25-19-17-16(13-7-9-24-10-8-13)11-20-18(17)21-12-22-19/h11-15H,3-10H2,1-2H3,(H,20,21,22)/t14-,15-
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| InChIKey |
HJPVJBIXLROMPT-SHTZXODSSA-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