General Information of the Compound
| Compound ID |
CP0914434
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| Compound Name |
(5S,11S)-11-benzyl-5-(naphthalen-2-ylmethyl)-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 |
C39H42N4O4
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| Molecular Weight |
630.789
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| Canonical SMILES |
O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1ccc2ccccc2c1
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| InChI |
InChI=1S/C39H42N4O4/c44-36-34(26-28-11-2-1-3-12-28)42-38(46)39(20-8-9-21-39)43-37(45)33(27-29-18-19-30-13-4-5-15-32(30)25-29)40-23-24-47-35-17-7-6-14-31(35)16-10-22-41-36/h1-7,10-19,25,33-34,40H,8-9,20-24,26-27H2,(H,41,44)(H,42,46)(H,43,45)/b16-10-/t33-,34-/m0/s1
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| InChIKey |
SBTKTHAHMYSQEV-XRPNXRKZSA-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