General Information of the Compound
| Compound ID |
CP0466828
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| Compound Name |
tert-butyl N-[4-[5-carbamoyl-7-methoxy-2-(pyridazine-3-carbonylamino)benzimidazol-1-yl]butyl]carbamate
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| Structure |
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| Formula |
C23H29N7O5
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| Molecular Weight |
483.529
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| Canonical SMILES |
COc1cc(cc2nc(NC(=O)c3cccnn3)n(CCCCNC(=O)OC(C)(C)C)c12)C(N)=O
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| InChI |
InChI=1S/C23H29N7O5/c1-23(2,3)35-22(33)25-9-5-6-11-30-18-16(12-14(19(24)31)13-17(18)34-4)27-21(30)28-20(32)15-8-7-10-26-29-15/h7-8,10,12-13H,5-6,9,11H2,1-4H3,(H2,24,31)(H,25,33)(H,27,28,32)
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| InChIKey |
OYSGYCFJVIDRNS-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