General Information of the Compound
| Compound ID |
CP0449094
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| Compound Name |
(Z)-(2S,5S,8R,14S)-14-(3-Guanidino-propionylamino)-2-(3-guanidino-propyl)-5-naphthalen-2-ylmethyl-3,6,15-trioxo-1,4,7triaza-cyclopentadec-11-ene-8-carboxylic acid amide
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| Structure |
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| Formula |
C32H45N11O5
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| Molecular Weight |
663.784
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| Canonical SMILES |
NC(=N)NCCC[C@@H]1NC(=O)[C@H](C\C=C/CC[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O)C(N)=O)NC(=O)CCNC(N)=N
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| InChI |
InChI=1S/C32H45N11O5/c33-27(45)22-9-2-1-3-10-23(40-26(44)14-16-39-32(36)37)28(46)42-24(11-6-15-38-31(34)35)29(47)43-25(30(48)41-22)18-19-12-13-20-7-4-5-8-21(20)17-19/h1,3-5,7-8,12-13,17,22-25H,2,6,9-11,14-16,18H2,(H2,33,45)(H,40,44)(H,41,48)(H,42,46)(H,43,47)(H4,34,35,38)(H4,36,37,39)/b3-1-/t22-,23+,24+,25+/m1/s1
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| InChIKey |
XUSHRSKCJWTASB-BUQUWYIASA-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