General Information of the Compound
| Compound ID |
CP0867085
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| Compound Name |
(5R,11S)-5-Benzyl-9-methyl-11-propyl-3,6,9,12-tetraaza-bicyclo[12.3.1]octadeca-1(17),14(18),15-triene-4,7,10-trione
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| Structure |
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| Formula |
C25H32N4O3
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| Molecular Weight |
436.556
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| Canonical SMILES |
CCC[C@@H]1NCc2cccc(c2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O
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| InChI |
InChI=1S/C25H32N4O3/c1-3-8-21-25(32)29(2)17-23(30)28-22(14-18-9-5-4-6-10-18)24(31)27-16-20-12-7-11-19(13-20)15-26-21/h4-7,9-13,21-22,26H,3,8,14-17H2,1-2H3,(H,27,31)(H,28,30)/t21-,22+/m0/s1
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| InChIKey |
MHFPDAKOFXUKEU-FCHUYYIVSA-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