General Information of the Compound
| Compound ID |
CP0568521
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| Compound Name |
US11136312, Compound MM-I-63
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| Structure |
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| Formula |
C26H25N7
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| Molecular Weight |
435.535
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| Canonical SMILES |
N#Cc1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
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| InChI |
InChI=1S/C26H25N7/c27-15-20-6-3-5-19(13-20)14-26-32-31-25(33(26)12-4-7-22-17-28-18-30-22)11-10-21-16-29-24-9-2-1-8-23(21)24/h1-3,5-6,8-9,13,16-18,29H,4,7,10-12,14H2,(H,28,30)
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| InChIKey |
GBPJQABBBCQFHE-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