General Information of the Compound
| Compound ID |
CP0085267
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| Compound Name |
US8633204, 305
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| Formula |
C19H23N7O3
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| Molecular Weight |
397.439
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| Canonical SMILES |
Cc1nc(N)nc2n([C@@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cn[nH]c1
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| InChI |
InChI=1S/C19H23N7O3/c1-10-14-6-15(11-7-22-23-8-11)18(28)26(17(14)25-19(21)24-10)12-2-4-13(5-3-12)29-9-16(20)27/h6-8,12-13H,2-5,9H2,1H3,(H2,20,27)(H,22,23)(H2,21,24,25)/t12-,13+
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| InChIKey |
NNXNZTDFLLHLOS-BETUJISGSA-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