General Information of the Compound
| Compound ID |
CP0563242
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| Compound Name |
US9034874, 1.1
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| Structure |
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| Formula |
C18H27N5O3
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| Molecular Weight |
361.446
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| Canonical SMILES |
O=C(OC1CCN(CC1)c1ccc(=O)[nH]n1)N1CCN(CC1)C1CCC1
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| InChI |
InChI=1S/C18H27N5O3/c24-17-5-4-16(19-20-17)22-8-6-15(7-9-22)26-18(25)23-12-10-21(11-13-23)14-2-1-3-14/h4-5,14-15H,1-3,6-13H2,(H,20,24)
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| InChIKey |
AKBDWSBBADJJLP-UHFFFAOYSA-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