General Information of the Compound
| Compound ID |
CP0951145
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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-hydroxy-2,6-dimethyl-phenyl)propanoyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C46H61N7O6
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| Molecular Weight |
808.037
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| Canonical SMILES |
CCCCCCCCC(N)C(=O)N[C@@H](Cc1c(C)cc(O)cc1C)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/C46H61N7O6/c1-4-5-6-7-8-12-19-36(47)43(56)52-40(27-35-29(2)23-33(54)24-30(35)3)46(59)53-22-15-21-41(53)45(58)51-39(26-32-28-49-37-20-14-13-18-34(32)37)44(57)50-38(42(48)55)25-31-16-10-9-11-17-31/h9-11,13-14,16-18,20,23-24,28,36,38-41,49,54H,4-8,12,15,19,21-22,25-27,47H2,1-3H3,(H2,48,55)(H,50,57)(H,51,58)(H,52,56)/t36?,38-,39-,40-,41-/m0/s1
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| InChIKey |
VPOFBDNYRDJOCK-CYZUTBKYSA-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