General Information of the Compound
| Compound ID |
CP0480292
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| Compound Name |
2-[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]-N-[(2R)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]pyrazolidine-1-carboxamide
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| Structure |
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| Formula |
C39H52N12O6
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| Molecular Weight |
784.923
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| Canonical SMILES |
C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N1CCCN1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C39H52N12O6/c1-24(46-36(54)33(19-26-21-44-30-13-6-5-12-28(26)30)48-35(53)29(41)20-27-22-43-23-45-27)38(56)50-16-9-17-51(50)39(57)49-32(18-25-10-3-2-4-11-25)37(55)47-31(34(42)52)14-7-8-15-40/h2-6,10-13,21-24,29,31-33,44H,7-9,14-20,40-41H2,1H3,(H2,42,52)(H,43,45)(H,46,54)(H,47,55)(H,48,53)(H,49,57)/t24-,29-,31-,32+,33+/m0/s1
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| InChIKey |
AKLWZCFAFVCJDE-FAFCAGHDSA-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