General Information of the Compound
| Compound ID |
CP0883416
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| Compound Name |
(5S,11S)-11-(4-chlorobenzyl)-5-cyclopropyl-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 |
C31H37ClN4O4
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| Molecular Weight |
565.114
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| Canonical SMILES |
O=C1NC/C=C\c2ccccc2OCCN[C@@H](C2CC2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1ccc(Cl)cc1
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| InChI |
InChI=1S/C31H37ClN4O4/c32-24-13-9-21(10-14-24)20-25-28(37)34-17-5-7-22-6-1-2-8-26(22)40-19-18-33-27(23-11-12-23)29(38)36-31(30(39)35-25)15-3-4-16-31/h1-2,5-10,13-14,23,25,27,33H,3-4,11-12,15-20H2,(H,34,37)(H,35,39)(H,36,38)/b7-5-/t25-,27-/m0/s1
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| InChIKey |
FGFVMPRXEPPQNH-PGIHPJEQSA-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