General Information of the Compound
| Compound ID |
CP0241190
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| Compound Name |
methyl 2-[5-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]tetrazol-2-yl]-2-phenylacetate
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| Structure |
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| Formula |
C23H28N6O4
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| Molecular Weight |
452.515
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| Canonical SMILES |
COC(=O)C(c1ccccc1)n1nnc(n1)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C23H28N6O4/c1-23(2,24)22(31)25-18(15-33-14-16-10-6-4-7-11-16)20-26-28-29(27-20)19(21(30)32-3)17-12-8-5-9-13-17/h4-13,18-19H,14-15,24H2,1-3H3,(H,25,31)/t18-,19?/m1/s1
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| InChIKey |
GDALGIMYCYQPDB-MRTLOADZSA-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