General Information of the Compound
| Compound ID |
CP0760762
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| Compound Name |
SID144917
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| Structure |
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| Formula |
C21H21N5O6
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| Molecular Weight |
439.428
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| Canonical SMILES |
Nc1nc(=O)c2cc(NCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)ccc2[nH]1
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| InChI |
InChI=1S/C21H21N5O6/c22-21-25-15-6-5-13(9-14(15)19(30)26-21)23-10-11-1-3-12(4-2-11)18(29)24-16(20(31)32)7-8-17(27)28/h1-6,9,16,23H,7-8,10H2,(H,24,29)(H,27,28)(H,31,32)(H3,22,25,26,30)
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| InChIKey |
MXBUWHDMZGKTHK-UHFFFAOYSA-N
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| CAS |
56239-21-5
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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