General Information of the Compound
| Compound ID |
CP0401344
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| Compound Name |
N-[4-[[[amino-[[(1S)-1-phenylethyl]carbamoylamino]methylidene]amino]methyl]-2,6-dichlorophenyl]acetamide
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| Structure |
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| Formula |
C19H21Cl2N5O2
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| Molecular Weight |
422.316
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| Canonical SMILES |
C[C@H](NC(=O)\N=C(/N)NCc1cc(Cl)c(NC(C)=O)c(Cl)c1)c1ccccc1
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| InChI |
InChI=1S/C19H21Cl2N5O2/c1-11(14-6-4-3-5-7-14)24-19(28)26-18(22)23-10-13-8-15(20)17(16(21)9-13)25-12(2)27/h3-9,11H,10H2,1-2H3,(H,25,27)(H4,22,23,24,26,28)/t11-/m0/s1
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| InChIKey |
PEMUPQXTGRRHPC-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