General Information of the Compound
| Compound ID |
CP0867091
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| Compound Name |
(5S,8R,11R)-5-sec-butyl-7,8-dimethyl-11-(pyridin-3-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 |
C29H41N5O4
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| Molecular Weight |
523.678
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C29H41N5O4/c1-5-20(2)26-29(37)34(4)21(3)27(35)33-24(18-22-10-8-14-30-19-22)28(36)32-15-9-12-23-11-6-7-13-25(23)38-17-16-31-26/h6-8,10-11,13-14,19-21,24,26,31H,5,9,12,15-18H2,1-4H3,(H,32,36)(H,33,35)/t20-,21+,24+,26-/m0/s1
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| InChIKey |
MWQUBDLEWMMLRM-MIUUGJTFSA-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