General Information of the Compound
| Compound ID |
CP0901818
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| Compound Name |
(5S,8R,11R)-5-sec-butyl-7,8-dimethyl-11-(thiazol-4-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 |
C27H39N5O4S
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| Molecular Weight |
529.707
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cscn2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C27H39N5O4S/c1-5-18(2)24-27(35)32(4)19(3)25(33)31-22(15-21-16-37-17-30-21)26(34)29-12-8-10-20-9-6-7-11-23(20)36-14-13-28-24/h6-7,9,11,16-19,22,24,28H,5,8,10,12-15H2,1-4H3,(H,29,34)(H,31,33)/t18-,19+,22+,24-/m0/s1
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| InChIKey |
NOMMNLQFTSGKMR-WGWURMLHSA-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