General Information of the Compound
| Compound ID |
CP0285509
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| Compound Name |
2-(4-chloro-phenoxy)-N-[(1R,2S,5S,7S)-5-(N-hydroxycarbamimidoyl)-adamantan-2-yl]-2-methyl-propionamide
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| Formula |
C21H28ClN3O3
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| Molecular Weight |
405.926
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| Canonical SMILES |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](C3)(C2)C(=N)NO
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| InChI |
InChI=1S/C21H28ClN3O3/c1-20(2,28-16-5-3-15(22)4-6-16)19(26)24-17-13-7-12-8-14(17)11-21(9-12,10-13)18(23)25-27/h3-6,12-14,17,27H,7-11H2,1-2H3,(H2,23,25)(H,24,26)/t12-,13-,14?,17+,21+/m0/s1
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| InChIKey |
QGTLXYMZZZDJFY-SOHFMQRKSA-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