General Information of the Compound
| Compound ID |
CP0901822
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| Compound Name |
(5S,8R,11R)-11-benzyl-5-sec-butyl-7,8-dimethyl-6,9,12-trioxo-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-18-carboximidamide
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| Structure |
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| Formula |
C31H44N6O4
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| Molecular Weight |
564.731
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2ccc(C(=N)N)cc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O
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| InChI |
InChI=1S/C31H44N6O4/c1-5-20(2)27-31(40)37(4)21(3)29(38)36-25(18-22-10-7-6-8-11-22)30(39)35-15-9-12-23-19-24(28(32)33)13-14-26(23)41-17-16-34-27/h6-8,10-11,13-14,19-21,25,27,34H,5,9,12,15-18H2,1-4H3,(H3,32,33)(H,35,39)(H,36,38)/t20-,21+,25+,27-/m0/s1
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| InChIKey |
WDVTUUWQHRAREZ-QIDJRYDTSA-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