General Information of the Compound
| Compound ID |
CP0911862
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| Compound Name |
(Z)-(2S,5S,8R,13S)-13-(3-Guanidino-propionylamino)-2-(3-guanidino-propyl)-5-naphthalen-2-ylmethyl-3,6,14-trioxo-1,4,7triaza-cyclotetradec-10-ene-8-carboxylic acid [2-(4-hydroxy-phenyl)-ethyl]-amide
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| Structure |
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| Formula |
C39H51N11O6
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| Molecular Weight |
769.908
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| Canonical SMILES |
N=C(N)NCCC(=O)N[C@H]1C/C=C\C[C@H](C(=O)NCCc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC1=O
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| InChI |
InChI=1S/C39H51N11O6/c40-38(41)45-19-5-10-31-36(55)50-32(23-25-11-14-26-6-1-2-7-27(26)22-25)37(56)48-29(34(53)44-20-17-24-12-15-28(51)16-13-24)8-3-4-9-30(35(54)49-31)47-33(52)18-21-46-39(42)43/h1-4,6-7,11-16,22,29-32,51H,5,8-10,17-21,23H2,(H,44,53)(H,47,52)(H,48,56)(H,49,54)(H,50,55)(H4,40,41,45)(H4,42,43,46)/b4-3-/t29-,30+,31+,32+/m1/s1
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| InChIKey |
GXMNBZLCXQFXET-YNCDFCONSA-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