General Information of the Compound
| Compound ID |
CP0374703
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| Compound Name |
N-[4-[[[amino-[[(1S)-2,3-dihydro-1H-inden-1-yl]carbamoylamino]methylidene]amino]methyl]-2,6-dichlorophenyl]acetamide
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| Structure |
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| Formula |
C20H21Cl2N5O2
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| Molecular Weight |
434.327
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| Canonical SMILES |
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)N[C@H]2CCc3ccccc23)cc1Cl
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| InChI |
InChI=1S/C20H21Cl2N5O2/c1-11(28)25-18-15(21)8-12(9-16(18)22)10-24-19(23)27-20(29)26-17-7-6-13-4-2-3-5-14(13)17/h2-5,8-9,17H,6-7,10H2,1H3,(H,25,28)(H4,23,24,26,27,29)/t17-/m0/s1
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| InChIKey |
RIXVBKVNCRGTKJ-KRWDZBQOSA-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