General Information of the Compound
| Compound ID |
CP0864965
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| Compound Name |
(5S,8R,11R)-11-benzyl-8-isobutyl-5-propyl-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 |
C31H44N4O4
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| Molecular Weight |
536.717
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC1=O
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| InChI |
InChI=1S/C31H44N4O4/c1-4-11-25-30(37)34-26(20-22(2)3)31(38)35-27(21-23-12-6-5-7-13-23)29(36)33-17-10-15-24-14-8-9-16-28(24)39-19-18-32-25/h5-9,12-14,16,22,25-27,32H,4,10-11,15,17-21H2,1-3H3,(H,33,36)(H,34,37)(H,35,38)/t25-,26+,27+/m0/s1
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| InChIKey |
UPLQIOOHMDDLRG-OYUWMTPXSA-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