General Information of the Compound
| Compound ID |
CP0463667
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| Compound Name |
(S)-2-(2-{[(S)-2-Acetylamino-3-(1H-imidazol-4-yl)-propionyl]-benzyl-amino}-acetylamino)-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
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| Structure |
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| Formula |
C34H43N11O5
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| Molecular Weight |
685.79
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)Cc1ccccc1
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| InChI |
InChI=1S/C34H43N11O5/c1-21(46)42-29(15-24-17-38-20-41-24)33(50)45(18-22-8-3-2-4-9-22)19-30(47)43-27(12-7-13-39-34(36)37)32(49)44-28(31(35)48)14-23-16-40-26-11-6-5-10-25(23)26/h2-6,8-11,16-17,20,27-29,40H,7,12-15,18-19H2,1H3,(H2,35,48)(H,38,41)(H,42,46)(H,43,47)(H,44,49)(H4,36,37,39)/t27-,28-,29-/m0/s1
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| InChIKey |
QCHDRYZBPCQQEM-AWCRTANDSA-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