General Information of the Compound
| Compound ID |
CP0560279
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| Compound Name |
(5R,8R,11S)-5-[(4-hydroxyphenyl)methyl]-8-(propan-2-yl)-11-[(propan-2-ylamino)methyl]-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecine-6,9,12-trione
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| Structure |
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| Formula |
C31H45N5O5
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| Molecular Weight |
567.731
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| Canonical SMILES |
CC(C)NC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O)C(C)C
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| InChI |
InChI=1S/C31H45N5O5/c1-20(2)28-31(40)35-26(19-34-21(3)4)29(38)33-15-7-9-23-8-5-6-10-27(23)41-17-16-32-25(30(39)36-28)18-22-11-13-24(37)14-12-22/h5-6,8,10-14,20-21,25-26,28,32,34,37H,7,9,15-19H2,1-4H3,(H,33,38)(H,35,40)(H,36,39)/t25-,26+,28-/m1/s1
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| InChIKey |
KNBPGHPBDKIFEI-FULLSBAXSA-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