General Information of the Compound
| Compound ID |
CP0851204
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| Compound Name |
(R)-11-benzyl-7-methyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C25H32N4O4
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| Molecular Weight |
452.555
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| Canonical SMILES |
CN1CC(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCNCC1=O
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| InChI |
InChI=1S/C25H32N4O4/c1-29-18-23(30)28-21(16-19-8-3-2-4-9-19)25(32)27-13-7-11-20-10-5-6-12-22(20)33-15-14-26-17-24(29)31/h2-6,8-10,12,21,26H,7,11,13-18H2,1H3,(H,27,32)(H,28,30)/t21-/m1/s1
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| InChIKey |
RVWPSKRHNHFEFB-OAQYLSRUSA-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