General Information of the Compound
| Compound ID |
CP0887073
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| Compound Name |
US8993565, 126
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| Structure |
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| Formula |
C19H22N4O3
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| Molecular Weight |
354.41
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| Canonical SMILES |
C[C@H]1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21
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| InChI |
InChI=1S/C19H22N4O3/c1-13-12-23(15-5-3-2-4-14(13)15)19(25)10-16-20-17(11-18(24)21-16)22-6-8-26-9-7-22/h2-5,11,13H,6-10,12H2,1H3,(H,20,21,24)/t13-/m0/s1
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| InChIKey |
CBPIBWZOJGKQSF-ZDUSSCGKSA-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