General Information of the Compound
| Compound ID |
CP0468639
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| Compound Name |
(1R,4S)-N-[N'-[(4-acetamido-3,5-dichlorophenyl)methyl]carbamimidoyl]-2-phenyl-2-azabicyclo[2.2.1]heptane-3-carboxamide
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| Structure |
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| Formula |
C23H25Cl2N5O2
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| Molecular Weight |
474.392
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| Canonical SMILES |
CC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)C2[C@H]3CC[C@H](C3)N2c2ccccc2)cc1Cl
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| InChI |
InChI=1S/C23H25Cl2N5O2/c1-13(31)28-20-18(24)9-14(10-19(20)25)12-27-23(26)29-22(32)21-15-7-8-17(11-15)30(21)16-5-3-2-4-6-16/h2-6,9-10,15,17,21H,7-8,11-12H2,1H3,(H,28,31)(H3,26,27,29,32)/t15-,17+,21?/m0/s1
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| InChIKey |
QAOMLJMIEONXPN-ONDKPXHOSA-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