General Information of the Compound
| Compound ID |
CP0480920
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| Compound Name |
tert-butyl (2S)-2-[(2S,3R,5R)-3-(3-chlorophenyl)-2-(4-chlorophenyl)-6-oxo-5-(2H-tetrazol-5-ylmethyl)piperidin-1-yl]butanoate
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| Structure |
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| Formula |
C27H31Cl2N5O3
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| Molecular Weight |
544.483
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| Canonical SMILES |
CC[C@H](N1[C@@H]([C@H](C[C@H](Cc2nnn[nH]2)C1=O)c1cccc(Cl)c1)c1ccc(Cl)cc1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C27H31Cl2N5O3/c1-5-22(26(36)37-27(2,3)4)34-24(16-9-11-19(28)12-10-16)21(17-7-6-8-20(29)13-17)14-18(25(34)35)15-23-30-32-33-31-23/h6-13,18,21-22,24H,5,14-15H2,1-4H3,(H,30,31,32,33)/t18-,21-,22+,24-/m1/s1
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| InChIKey |
PDGUCDUDEBRWJB-UWSZBUKDSA-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