General Information of the Compound
| Compound ID |
CP0864410
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| Compound Name |
(5S,11S)-11-(biphenyl-4-ylmethyl)-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](Cc2ccc(-c3ccccc3)cc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C38H46N4O4/c1-27(2)25-32-36(44)42-38(20-8-9-21-38)37(45)41-33(26-28-16-18-30(19-17-28)29-11-4-3-5-12-29)35(43)40-22-10-14-31-13-6-7-15-34(31)46-24-23-39-32/h3-7,10-19,27,32-33,39H,8-9,20-26H2,1-2H3,(H,40,43)(H,41,45)(H,42,44)/b14-10-/t32-,33-/m0/s1
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| InChIKey |
PJRWWJJUPGZHMD-DICJIXGZSA-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