General Information of the Compound
| Compound ID |
CP0062600
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| Compound Name |
[[(1S)-4-phenyl-1-(2H-tetrazol-5-yl)but-3-ynyl]amino]methylphosphonic acid
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| Structure |
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| Formula |
C12H14N5O3P
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| Molecular Weight |
307.25
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| Canonical SMILES |
OP(O)(=O)CN[C@@H](CC#Cc1ccccc1)c1nnn[nH]1
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| InChI |
InChI=1S/C12H14N5O3P/c18-21(19,20)9-13-11(12-14-16-17-15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11,13H,8-9H2,(H2,18,19,20)(H,14,15,16,17)/t11-/m0/s1
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| InChIKey |
AWWVJFGCYBSRKO-NSHDSACASA-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