General Information of the Compound
| Compound ID |
CP0919531
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| Compound Name |
(5S,11S)-5-benzhydryl-11-benzyl-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 |
C41H44N4O4
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| Molecular Weight |
656.827
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| Canonical SMILES |
O=C1NC/C=C\c2ccccc2OCCN[C@@H](C(c2ccccc2)c2ccccc2)C(=O)NC2(CCCC2)C(=O)N[C@H]1Cc1ccccc1
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| InChI |
InChI=1S/C41H44N4O4/c46-38-34(29-30-15-4-1-5-16-30)44-40(48)41(24-12-13-25-41)45-39(47)37(36(32-18-6-2-7-19-32)33-20-8-3-9-21-33)42-27-28-49-35-23-11-10-17-31(35)22-14-26-43-38/h1-11,14-23,34,36-37,42H,12-13,24-29H2,(H,43,46)(H,44,48)(H,45,47)/b22-14-/t34-,37-/m0/s1
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| InChIKey |
VUIUEIZUYJESMH-OPEAGBDTSA-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