General Information of the Compound
| Compound ID |
CP0951146
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| Compound Name |
(2S)-N-[(1S)-2-[[(1S)-2-amino-1-benzyl-2-oxo-ethyl]amino]-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-1-[(2S)-2-(2-aminodecanoylamino)-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C44H57N7O6
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| Molecular Weight |
779.983
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| Canonical SMILES |
CCCCCCCCC(N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C44H57N7O6/c1-2-3-4-5-6-10-17-34(45)41(54)50-38(26-30-20-22-32(52)23-21-30)44(57)51-24-13-19-39(51)43(56)49-37(27-31-28-47-35-18-12-11-16-33(31)35)42(55)48-36(40(46)53)25-29-14-8-7-9-15-29/h7-9,11-12,14-16,18,20-23,28,34,36-39,47,52H,2-6,10,13,17,19,24-27,45H2,1H3,(H2,46,53)(H,48,55)(H,49,56)(H,50,54)/t34?,36-,37-,38-,39-/m0/s1
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| InChIKey |
RTGAFPCFDZVZGB-LUIGENPXSA-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