General Information of the Compound
| Compound ID |
CP0897007
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| Compound Name |
2-((S)-2-((R)-2-((S)-2-amino-3-phenylpropanamido)-3-(1H-indol-3-yl)propanamido)propanoyl)-N-((R)-1-((S)-1,6-diamino-1-oxohexan-2-ylamino)-1-oxo-3-phenylpropan-2-yl)-1-(4-hydroxybenzyl)hydrazinecarboxamide
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| Structure |
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| Formula |
C46H56N10O7
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| Molecular Weight |
861.017
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| Canonical SMILES |
C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)NN(Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C46H56N10O7/c1-29(51-44(61)40(26-33-27-50-37-17-9-8-16-35(33)37)53-43(60)36(48)24-30-12-4-2-5-13-30)42(59)55-56(28-32-19-21-34(57)22-20-32)46(63)54-39(25-31-14-6-3-7-15-31)45(62)52-38(41(49)58)18-10-11-23-47/h2-9,12-17,19-22,27,29,36,38-40,50,57H,10-11,18,23-26,28,47-48H2,1H3,(H2,49,58)(H,51,61)(H,52,62)(H,53,60)(H,54,63)(H,55,59)/t29-,36-,38-,39+,40+/m0/s1
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| InChIKey |
UXLLTLJQGQWGQM-JICCOMKPSA-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