General Information of the Compound
| Compound ID |
CP0958470
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| Compound Name |
2-((S)-2-amino-3-(1H-imidazol-5-yl)propanoyl)-1-benzyl-N-((S)-1-((S)-1-((R)-1-((S)-1,6-diamino-1-oxohexan-2-ylamino)-1-oxo-3-phenylpropan-2-ylamino)-1-oxopropan-2-ylamino)-1-oxopropan-2-yl)hydrazinecarboxamide
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| Structure |
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| Formula |
C35H49N11O6
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| Molecular Weight |
719.848
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| Canonical SMILES |
C[C@H](NC(=O)[C@H](C)NC(=O)N(Cc1ccccc1)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C35H49N11O6/c1-22(32(49)44-29(17-24-11-5-3-6-12-24)34(51)43-28(30(38)47)15-9-10-16-36)41-31(48)23(2)42-35(52)46(20-25-13-7-4-8-14-25)45-33(50)27(37)18-26-19-39-21-40-26/h3-8,11-14,19,21-23,27-29H,9-10,15-18,20,36-37H2,1-2H3,(H2,38,47)(H,39,40)(H,41,48)(H,42,52)(H,43,51)(H,44,49)(H,45,50)/t22-,23-,27-,28-,29+/m0/s1
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| InChIKey |
AHDAGHCWYONEID-QNSQRMHMSA-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