General Information of the Compound
| Compound ID |
CP0406637
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| Compound Name |
(2S)-2-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S)-3-(1-formylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
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| Structure |
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| Formula |
C47H60N6O9
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| Molecular Weight |
853.03
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| Canonical SMILES |
CC(C)C[C@@H](NC(=O)[C@H](Cc1cn(C=O)c2ccccc12)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
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| InChI |
InChI=1S/C47H60N6O9/c1-29(2)22-35(49-44(58)38(52-46(61)62-47(5,6)7)26-33-27-53(28-54)40-21-15-14-20-34(33)40)41(55)50-37(24-31-16-10-8-11-17-31)43(57)48-36(23-30(3)4)42(56)51-39(45(59)60)25-32-18-12-9-13-19-32/h8-21,27-30,35-39H,22-26H2,1-7H3,(H,48,57)(H,49,58)(H,50,55)(H,51,56)(H,52,61)(H,59,60)/t35-,36-,37+,38+,39+/m1/s1
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| InChIKey |
JOBIBJOXOKTXHP-QRBPUMSVSA-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