General Information of the Compound
| Compound ID |
CP0553920
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| Compound Name |
N-[[(6R,9R,12S)-6-[(4-hydroxyphenyl)methyl]-7,10,13-trioxo-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-trien-12-yl]methyl]acetamide
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| Structure |
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| Formula |
C30H41N5O6
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| Molecular Weight |
567.687
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| Canonical SMILES |
CC(C)[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC(C)=O)NC1=O
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| InChI |
InChI=1S/C30H41N5O6/c1-19(2)27-30(40)34-25(18-33-20(3)36)28(38)32-14-6-8-22-7-4-5-9-26(22)41-16-15-31-24(29(39)35-27)17-21-10-12-23(37)13-11-21/h4-5,7,9-13,19,24-25,27,31,37H,6,8,14-18H2,1-3H3,(H,32,38)(H,33,36)(H,34,40)(H,35,39)/t24-,25+,27-/m1/s1
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| InChIKey |
OXANEHULCAYVJH-CMTIAEDTSA-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