General Information of the Compound
| Compound ID |
CP0957155
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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-(naphthalen-1-ylmethyl)hydrazinecarboxamide
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| Structure |
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| Formula |
C47H56N12O6
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| Molecular Weight |
885.043
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| Canonical SMILES |
C[C@H](NC(=O)N(Cc1cccc2ccccc12)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/C47H56N12O6/c1-29(54-47(65)59(58-44(62)37(49)24-34-26-51-28-53-34)27-32-16-11-15-31-14-5-6-17-35(31)32)43(61)56-41(23-33-25-52-38-19-8-7-18-36(33)38)46(64)57-40(22-30-12-3-2-4-13-30)45(63)55-39(42(50)60)20-9-10-21-48/h2-8,11-19,25-26,28-29,37,39-41,52H,9-10,20-24,27,48-49H2,1H3,(H2,50,60)(H,51,53)(H,54,65)(H,55,63)(H,56,61)(H,57,64)(H,58,62)/t29-,37-,39-,40+,41-/m0/s1
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| InChIKey |
RMFKHNJQZIJWFB-FLCXVIHKSA-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