General Information of the Compound
| Compound ID |
CP0883420
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| Compound Name |
(5S,8R,11R)-5-sec-butyl-7,8-dimethyl-11-(naphthalen-1-ylmethyl)-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 |
C34H44N4O4
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| Molecular Weight |
572.75
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccc3ccccc23)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C34H44N4O4/c1-5-23(2)31-34(41)38(4)24(3)32(39)37-29(22-27-15-10-14-25-12-6-8-17-28(25)27)33(40)36-19-11-16-26-13-7-9-18-30(26)42-21-20-35-31/h6-10,12-15,17-18,23-24,29,31,35H,5,11,16,19-22H2,1-4H3,(H,36,40)(H,37,39)/t23-,24+,29+,31-/m0/s1
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| InChIKey |
LZTZARASDAZABX-MSCZZTMASA-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