General Information of the Compound
| Compound ID |
CP0537490
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| Compound Name |
US8993565, 148
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| Structure |
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| Formula |
C19H23N5O3
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| Molecular Weight |
369.425
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| Canonical SMILES |
O=C(Cc1nc(cc(=O)[nH]1)N1CCOCC1)Nc1cccc2CCCNc12
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| InChI |
InChI=1S/C19H23N5O3/c25-17(21-14-5-1-3-13-4-2-6-20-19(13)14)11-15-22-16(12-18(26)23-15)24-7-9-27-10-8-24/h1,3,5,12,20H,2,4,6-11H2,(H,21,25)(H,22,23,26)
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| InChIKey |
OCACPSFTSYRQMD-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