General Information of the Compound
| Compound ID |
CP0421256
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| Compound Name |
2-[3-[(2R,5S,8S,11S,12E)-8-[3-(diaminomethylideneamino)propyl]-2-[(4-hydroxyphenyl)methyl]-11-(naphthalen-2-ylmethyl)-3,6,9,15-tetraoxo-1,4,7,10-tetrazacyclopentadec-12-en-5-yl]propyl]guanidine
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| Structure |
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| Formula |
C37H48N10O5
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| Molecular Weight |
712.856
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| Canonical SMILES |
NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C\C=C\[C@H](Cc2ccc3ccccc3c2)NC1=O
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| InChI |
InChI=1S/C37H48N10O5/c38-36(39)42-18-4-9-29-33(50)44-27(21-24-12-15-25-6-1-2-7-26(25)20-24)8-3-11-32(49)45-31(22-23-13-16-28(48)17-14-23)35(52)47-30(34(51)46-29)10-5-19-43-37(40)41/h1-3,6-8,12-17,20,27,29-31,48H,4-5,9-11,18-19,21-22H2,(H,44,50)(H,45,49)(H,46,51)(H,47,52)(H4,38,39,42)(H4,40,41,43)/b8-3+/t27-,29+,30+,31-/m1/s1
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| InChIKey |
IJCZPEALCMEGQR-ALIXNWDQSA-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