General Information of the Compound
| Compound ID |
CP0861243
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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 amide
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| Structure |
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| Formula |
C31H43N11O5
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| Molecular Weight |
649.757
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| Canonical SMILES |
N=C(N)NCCC[C@@H]1NC(=O)[C@@H](NC(=O)CCNC(=N)N)C/C=C\C[C@H](C(N)=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O
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| InChI |
InChI=1S/C31H43N11O5/c32-26(44)21-8-3-4-9-22(39-25(43)13-15-38-31(35)36)27(45)41-23(10-5-14-37-30(33)34)28(46)42-24(29(47)40-21)17-18-11-12-19-6-1-2-7-20(19)16-18/h1-4,6-7,11-12,16,21-24H,5,8-10,13-15,17H2,(H2,32,44)(H,39,43)(H,40,47)(H,41,45)(H,42,46)(H4,33,34,37)(H4,35,36,38)/b4-3-/t21-,22+,23+,24+/m1/s1
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| InChIKey |
DDFRGEJQCCTAEI-PTPDITJCSA-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