General Information of the Compound
| Compound ID |
CP0901794
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| Compound Name |
(5S,8R,11R)-11-(biphenyl-4-ylmethyl)-5-sec-butyl-7,8-dimethyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
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| Structure |
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| Formula |
C36H46N4O4
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| Molecular Weight |
598.788
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(-c3ccccc3)cc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C36H46N4O4/c1-5-25(2)33-36(43)40(4)26(3)34(41)39-31(24-27-17-19-29(20-18-27)28-12-7-6-8-13-28)35(42)38-21-11-15-30-14-9-10-16-32(30)44-23-22-37-33/h6-10,12-14,16-20,25-26,31,33,37H,5,11,15,21-24H2,1-4H3,(H,38,42)(H,39,41)/t25-,26+,31+,33-/m0/s1
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| InChIKey |
HHTWBHUXTBZYST-PHLFFPRXSA-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