General Information of the Compound
| Compound ID |
CP0088161
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| Compound Name |
2-[(2S)-2-[[(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]oxyacetic acid
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| Structure |
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| Formula |
C24H33N3O7
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| Molecular Weight |
475.542
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| Canonical SMILES |
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCC(O)=O
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| InChI |
InChI=1S/C24H33N3O7/c1-15(2)12-18(25-23(32)20-10-7-11-27(20)16(3)28)22(31)26-19(24(33)34-14-21(29)30)13-17-8-5-4-6-9-17/h4-6,8-9,15,18-20H,7,10-14H2,1-3H3,(H,25,32)(H,26,31)(H,29,30)/t18-,19-,20-/m0/s1
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| InChIKey |
GJBCLIAMROAICZ-UFYCRDLUSA-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