General Information of the Compound
| Compound ID |
CP0864939
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| Compound Name |
(5S,8R,11R)-5-(2-aminoethyl)-11-(4-fluorobenzyl)-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 |
C28H38FN5O4
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| Molecular Weight |
527.641
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| Canonical SMILES |
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](CCN)C(=O)N1C
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| InChI |
InChI=1S/C28H38FN5O4/c1-19-26(35)33-24(18-20-9-11-22(29)12-10-20)27(36)32-15-5-7-21-6-3-4-8-25(21)38-17-16-31-23(13-14-30)28(37)34(19)2/h3-4,6,8-12,19,23-24,31H,5,7,13-18,30H2,1-2H3,(H,32,36)(H,33,35)/t19-,23+,24-/m1/s1
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| InChIKey |
UYWHNLYTUPXDEV-VEXUSMLFSA-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