General Information of the Compound
| Compound ID |
CP0873137
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| Compound Name |
(5S,11S)-7-methyl-11-((S)-1-phenylethyl)-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 |
C29H40N4O4
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| Molecular Weight |
508.663
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| Canonical SMILES |
CCC[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@H](C(C)c2ccccc2)NC(=O)CN(C)C1=O
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| InChI |
InChI=1S/C29H40N4O4/c1-4-11-24-29(36)33(3)20-26(34)32-27(21(2)22-12-6-5-7-13-22)28(35)31-17-10-15-23-14-8-9-16-25(23)37-19-18-30-24/h5-9,12-14,16,21,24,27,30H,4,10-11,15,17-20H2,1-3H3,(H,31,35)(H,32,34)/t21?,24-,27-/m0/s1
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| InChIKey |
HAJALEZSVWSMFU-DHERDKLVSA-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