General Information of the Compound
| Compound ID |
CP0883419
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| Compound Name |
(5S,8R,11R)-5-sec-butyl-11-(4-methoxybenzyl)-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 |
C31H44N4O5
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| Molecular Weight |
552.716
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C31H44N4O5/c1-6-21(2)28-31(38)35(4)22(3)29(36)34-26(20-23-13-15-25(39-5)16-14-23)30(37)33-17-9-11-24-10-7-8-12-27(24)40-19-18-32-28/h7-8,10,12-16,21-22,26,28,32H,6,9,11,17-20H2,1-5H3,(H,33,37)(H,34,36)/t21-,22+,26+,28-/m0/s1
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| InChIKey |
MEPHYDMPMTVZOA-KGISBMFWSA-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