General Information of the Compound
| Compound ID |
CP0487232
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| Compound Name |
2-[3-[(2S,5S,11R,14R)-14-(4-aminobutyl)-11-[(4-hydroxyphenyl)methyl]-5-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
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| Structure |
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| Formula |
C36H47N9O6
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| Molecular Weight |
701.829
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| Canonical SMILES |
NCCCC[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=N)NC1=O
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| InChI |
InChI=1S/C36H47N9O6/c37-16-4-3-8-27-33(49)43-28(9-5-17-40-36(38)39)34(50)45-29(20-23-10-13-24-6-1-2-7-25(24)18-23)32(48)41-21-31(47)42-30(35(51)44-27)19-22-11-14-26(46)15-12-22/h1-2,6-7,10-15,18,27-30,46H,3-5,8-9,16-17,19-21,37H2,(H,41,48)(H,42,47)(H,43,49)(H,44,51)(H,45,50)(H4,38,39,40)/t27-,28+,29+,30-/m1/s1
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| InChIKey |
KHAJTASUXODXRA-IBHPWDLASA-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