General Information of the Compound
| Compound ID |
CP0515389
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| Compound Name |
2-[3-[(4R,7S,10S,11Z,13S)-7-[3-(diaminomethylideneamino)propyl]-4-[(4-hydroxyphenyl)methyl]-13-(naphthalen-2-ylmethyl)-2,5,8,14-tetraoxo-1,3,6,9-tetrazacyclotetradec-11-en-10-yl]propyl]guanidine
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| Structure |
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| Formula |
C36H46N10O5
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| Molecular Weight |
698.829
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| Canonical SMILES |
NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)\C=C/1
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| InChI |
InChI=1S/C36H46N10O5/c37-34(38)41-17-3-7-27-14-13-26(20-23-9-12-24-5-1-2-6-25(24)19-23)31(48)46-36(51)45-30(21-22-10-15-28(47)16-11-22)33(50)44-29(32(49)43-27)8-4-18-42-35(39)40/h1-2,5-6,9-16,19,26-27,29-30,47H,3-4,7-8,17-18,20-21H2,(H,43,49)(H,44,50)(H4,37,38,41)(H4,39,40,42)(H2,45,46,48,51)/b14-13-/t26-,27+,29+,30-/m1/s1
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| InChIKey |
WKOHTLYQCPIDRU-PEMJEHEQSA-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