General Information of the Compound
| Compound ID |
CP0549622
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| Compound Name |
2-[3-[(2S,5S,8S,14R)-6-amino-5-[3-(diaminomethylideneamino)propyl]-14-[(4-hydroxyphenyl)methyl]-8-(naphthalen-2-ylmethyl)-3,9,12,15-tetraoxo-1,4,7,10,13-pentazacyclopentadec-6-en-2-yl]propyl]guanidine
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| Structure |
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| Formula |
C36H48N12O5
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| Molecular Weight |
728.859
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| Canonical SMILES |
NC(N)=NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)N=C(N)[C@H](CCCN=C(N)N)NC1=O
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| InChI |
InChI=1S/C36H48N12O5/c37-31-26(7-3-15-42-35(38)39)47-33(52)27(8-4-16-43-36(40)41)48-34(53)29(18-21-10-13-25(49)14-11-21)45-30(50)20-44-32(51)28(46-31)19-22-9-12-23-5-1-2-6-24(23)17-22/h1-2,5-6,9-14,17,26-29,49H,3-4,7-8,15-16,18-20H2,(H2,37,46)(H,44,51)(H,45,50)(H,47,52)(H,48,53)(H4,38,39,42)(H4,40,41,43)/t26-,27-,28-,29+/m0/s1
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| InChIKey |
SRNGQKWFYAHULQ-XFTNXAEASA-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