General Information of the Compound
| Compound ID |
CP0867089
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| Compound Name |
(5S,11S)-11-benzhydryl-5-isobutyl-2,3,4,5,10,11,13,14-octahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-6,9,12(7H)-trione
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| Structure |
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| Formula |
C38H46N4O4
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| Molecular Weight |
622.81
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| Canonical SMILES |
CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](C(c2ccccc2)c2ccccc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C38H46N4O4/c1-27(2)26-31-35(43)42-38(21-11-12-22-38)37(45)41-34(33(29-15-5-3-6-16-29)30-17-7-4-8-18-30)36(44)40-23-13-19-28-14-9-10-20-32(28)46-25-24-39-31/h3-10,13-20,27,31,33-34,39H,11-12,21-26H2,1-2H3,(H,40,44)(H,41,45)(H,42,43)/b19-13-/t31-,34-/m0/s1
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| InChIKey |
XZJCZSGMPFNWQT-OCFRFJKTSA-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