General Information of the Compound
| Compound ID |
CP0459913
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| Compound Name |
ethyl 3-[4-[5-[(1S)-1-[(2-amino-2-methylpropanoyl)amino]-2-phenylmethoxyethyl]tetrazol-1-yl]butanoylamino]propanoate
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| Structure |
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| Formula |
C23H35N7O5
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| Molecular Weight |
489.577
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| Canonical SMILES |
CCOC(=O)CCNC(=O)CCCn1nnnc1[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C23H35N7O5/c1-4-35-20(32)12-13-25-19(31)11-8-14-30-21(27-28-29-30)18(26-22(33)23(2,3)24)16-34-15-17-9-6-5-7-10-17/h5-7,9-10,18H,4,8,11-16,24H2,1-3H3,(H,25,31)(H,26,33)/t18-/m1/s1
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| InChIKey |
BGFXGXAMAQIXQO-GOSISDBHSA-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