General Information of the Compound
| Compound ID |
CP0867088
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| Compound Name |
(8R,11R)-11-benzyl-7,8-dimethyl-3,4,7,8,10,11,13,14,15,16-decahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-5,1'-cyclopropane]-6,9,12(2H)-trione
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| Structure |
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| Formula |
C28H36N4O4
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| Molecular Weight |
492.62
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCNC2(CC2)C(=O)N1C
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| InChI |
InChI=1S/C28H36N4O4/c1-20-25(33)31-23(19-21-9-4-3-5-10-21)26(34)29-16-8-12-22-11-6-7-13-24(22)36-18-17-30-28(14-15-28)27(35)32(20)2/h3-7,9-11,13,20,23,30H,8,12,14-19H2,1-2H3,(H,29,34)(H,31,33)/t20-,23-/m1/s1
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| InChIKey |
DBFSXWRNWMYZEH-NFBKMPQASA-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