General Information of the Compound
| Compound ID |
CP0428718
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| Compound Name |
US8853203, 110c
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| Structure |
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| Formula |
C21H23N5O2
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| Molecular Weight |
377.448
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| Canonical SMILES |
CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(ccnc3C3CC3)C2=C1
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| InChI |
InChI=1S/C21H23N5O2/c1-13(28-2)17-11-25(12-24-17)19-9-18-15-5-7-22-21(14-3-4-14)16(15)6-8-26(18)20(27)10-23-19/h5,7,9,11-14H,3-4,6,8,10H2,1-2H3/t13-/m1/s1
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| InChIKey |
ZQYVBUTZQVPTGZ-CYBMUJFWSA-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