General Information of the Compound
| Compound ID |
CP0013941
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| Compound Name |
US9777008, Compound 245
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| Structure |
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| Formula |
C26H29N7O2
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| Molecular Weight |
471.565
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| Canonical SMILES |
CNC(=O)Cn1ccc2cnc(nc12)-c1ccnc(NCC(O)CN2CCc3ccccc3C2)c1
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| InChI |
InChI=1S/C26H29N7O2/c1-27-24(35)17-33-11-8-20-13-30-25(31-26(20)33)19-6-9-28-23(12-19)29-14-22(34)16-32-10-7-18-4-2-3-5-21(18)15-32/h2-6,8-9,11-13,22,34H,7,10,14-17H2,1H3,(H,27,35)(H,28,29)
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| InChIKey |
VJSRWTBVRULRJW-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