General Information of the Compound
| Compound ID |
CP0435313
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| Compound Name |
[5-[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenyl]pentylcarbamoylamino]methylphosphonic acid
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| Structure |
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| Formula |
C29H38Cl2N5O5PS
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| Molecular Weight |
670.6
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| Canonical SMILES |
OP(O)(=O)CNC(=O)NCCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C29H38Cl2N5O5PS/c30-23-15-21(24(31)14-20(23)6-2-1-5-11-32-29(38)33-18-42(39,40)41)16-34-19-43-17-27(34)28(37)36-13-12-35(22-9-10-22)25-7-3-4-8-26(25)36/h3-4,7-8,14-15,22,27H,1-2,5-6,9-13,16-19H2,(H2,32,33,38)(H2,39,40,41)/t27-/m0/s1
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| InChIKey |
WLDHTBDVGXOZMA-MHZLTWQESA-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