General Information of the Compound
| Compound ID |
CP0194127
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| Compound Name |
2-(5-bromo-pyridin-2-yloxy)-N-((1R,2S,5R,7S)-5-carbamoylmethyl-adamantan-2-yl)-2-methyl-propionamide
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| Formula |
C21H28BrN3O3
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| Molecular Weight |
450.377
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| Canonical SMILES |
CC(C)(Oc1ccc(Br)cn1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CC(N)=O)(C3)C2
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| InChI |
InChI=1S/C21H28BrN3O3/c1-20(2,28-17-4-3-15(22)11-24-17)19(27)25-18-13-5-12-6-14(18)9-21(7-12,8-13)10-16(23)26/h3-4,11-14,18H,5-10H2,1-2H3,(H2,23,26)(H,25,27)/t12-,13-,14?,18+,21+/m0/s1
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| InChIKey |
ZIMMKUOOHAWXLF-AYOVKPNZSA-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