General Information of the Compound
| Compound ID |
CP0285033
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| Compound Name |
[[(2S)-1-[[3-(2-aminoethyl)-1H-indol-2-yl]amino]-5-(2,4-difluorophenyl)-1-oxopent-4-yn-2-yl]amino]methylphosphonic acid
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| Structure |
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| Formula |
C22H23F2N4O4P
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| Molecular Weight |
476.42
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| Canonical SMILES |
NCCc1c(NC(=O)[C@H](CC#Cc2ccc(F)cc2F)NCP(O)(O)=O)[nH]c2ccccc12
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| InChI |
InChI=1S/C22H23F2N4O4P/c23-15-9-8-14(18(24)12-15)4-3-7-20(26-13-33(30,31)32)22(29)28-21-17(10-11-25)16-5-1-2-6-19(16)27-21/h1-2,5-6,8-9,12,20,26-27H,7,10-11,13,25H2,(H,28,29)(H2,30,31,32)/t20-/m0/s1
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| InChIKey |
GHDFGPQHLSHHMQ-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