General Information of the Compound
| Compound ID |
CP0468640
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| Compound Name |
N-[4-[[[amino-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]methylidene]amino]methyl]-2,6-dichlorophenyl]acetamide
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| Structure |
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| Formula |
C21H23Cl2N5O2
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| Molecular Weight |
448.354
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| Canonical SMILES |
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)N[C@H]2CCCc3ccccc23)cc1Cl
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| InChI |
InChI=1S/C21H23Cl2N5O2/c1-12(29)26-19-16(22)9-13(10-17(19)23)11-25-20(24)28-21(30)27-18-8-4-6-14-5-2-3-7-15(14)18/h2-3,5,7,9-10,18H,4,6,8,11H2,1H3,(H,26,29)(H4,24,25,27,28,30)/t18-/m0/s1
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| InChIKey |
HUJGZCRWHCDGCX-SFHVURJKSA-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