General Information of the Compound
| Compound ID |
CP0374696
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| Compound Name |
(2S)-N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]-1-(3-methoxyphenyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C22H25Cl2N5O3
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| Molecular Weight |
478.38
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| Canonical SMILES |
COc1cccc(c1)N1CCC[C@H]1C(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1
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| InChI |
InChI=1S/C22H25Cl2N5O3/c1-13(30)27-20-17(23)9-14(10-18(20)24)12-26-22(25)28-21(31)19-7-4-8-29(19)15-5-3-6-16(11-15)32-2/h3,5-6,9-11,19H,4,7-8,12H2,1-2H3,(H,27,30)(H3,25,26,28,31)/t19-/m0/s1
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| InChIKey |
XCMIRMNZMAETLZ-IBGZPJMESA-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