General Information of the Compound
| Compound ID |
CP0867136
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| Compound Name |
(5'S,11'S)-11'-benzyl-5'-isobutyl-2',3',4',5',10',11',13',14',15',16'-decahydrospiro[cyclopentane-1,8'-pyrido[2,3-q][1,4,7,10,13]oxatetraazacyclooctadecine]-6',9',12'(7'H)-trione
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| Structure |
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| Formula |
C31H43N5O4
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| Molecular Weight |
549.716
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| Canonical SMILES |
CC(C)C[C@@H]1NCCOc2cccnc2CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC1=O
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| InChI |
InChI=1S/C31H43N5O4/c1-22(2)20-25-29(38)36-31(14-6-7-15-31)30(39)35-26(21-23-10-4-3-5-11-23)28(37)34-17-8-12-24-27(13-9-16-32-24)40-19-18-33-25/h3-5,9-11,13,16,22,25-26,33H,6-8,12,14-15,17-21H2,1-2H3,(H,34,37)(H,35,39)(H,36,38)/t25-,26-/m0/s1
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| InChIKey |
HQMBCHXGTDJGNF-UIOOFZCWSA-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