General Information of the Compound
| Compound ID |
CP0907447
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| Compound Name |
2-((S)-2-amino-3-(1H-imidazol-5-yl)propanoyl)-N-((S)-1-((S)-1-((R)-1-((S)-1,6-diamino-1-oxohexan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-ylamino)-1-oxopropan-2-yl)-1-phenethylhydrazinecarboxamide
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| Structure |
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| Formula |
C44H56N12O6
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| Molecular Weight |
849.01
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| Canonical SMILES |
C[C@H](NC(=O)N(CCc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C44H56N12O6/c1-28(51-44(62)56(21-19-29-12-4-2-5-13-29)55-41(59)34(46)24-32-26-48-27-50-32)40(58)53-38(23-31-25-49-35-17-9-8-16-33(31)35)43(61)54-37(22-30-14-6-3-7-15-30)42(60)52-36(39(47)57)18-10-11-20-45/h2-9,12-17,25-28,34,36-38,49H,10-11,18-24,45-46H2,1H3,(H2,47,57)(H,48,50)(H,51,62)(H,52,60)(H,53,58)(H,54,61)(H,55,59)/t28-,34-,36-,37+,38-/m0/s1
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| InChIKey |
GAUCQRSNYMACDX-CTXKNKQKSA-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