General Information of the Compound
| Compound ID |
CP0117475
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| Compound Name |
US9073893, 67
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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 |
Cn1n(C2CCN(Cc3ccco3)CC2)c(=O)c2c(cccc12)C(N)=O
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| InChI |
InChI=1S/C19H22N4O3/c1-21-16-6-2-5-15(18(20)24)17(16)19(25)23(21)13-7-9-22(10-8-13)12-14-4-3-11-26-14/h2-6,11,13H,7-10,12H2,1H3,(H2,20,24)
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| InChIKey |
SGRIRZRNZXPWOL-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