General Information of the Compound
| Compound ID |
CP0309874
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| Compound Name |
[[(2S)-1-[[3-(2-aminoethyl)-1H-indol-2-yl]amino]-5-(2-fluorophenyl)-1-oxopent-4-yn-2-yl]amino]methylphosphonic acid
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| Structure |
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| Formula |
C22H24FN4O4P
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| Molecular Weight |
458.43
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| Canonical SMILES |
NCCc1c(NC(=O)[C@H](CC#Cc2ccccc2F)NCP(O)(O)=O)[nH]c2ccccc12
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| InChI |
InChI=1S/C22H24FN4O4P/c23-18-9-3-1-6-15(18)7-5-11-20(25-14-32(29,30)31)22(28)27-21-17(12-13-24)16-8-2-4-10-19(16)26-21/h1-4,6,8-10,20,25-26H,11-14,24H2,(H,27,28)(H2,29,30,31)/t20-/m0/s1
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| InChIKey |
CZAWQIOULAMVAY-FQEVSTJZSA-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