General Information of the Compound
Compound ID |
CP0110245
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Compound Name |
3-{(1R,4S,5R,7S)-4-[2-(4-chloro-phenoxy)-2-methyl-propionylamino]-adamantan-1-yl}-propionic acid
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Formula |
C23H30ClNO4
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Molecular Weight |
419.949
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Canonical SMILES |
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1C2C[C@@H]3C[C@H]1C[C@](CCC(O)=O)(C3)C2
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InChI |
InChI=1S/C23H30ClNO4/c1-22(2,29-18-5-3-17(24)4-6-18)21(28)25-20-15-9-14-10-16(20)13-23(11-14,12-15)8-7-19(26)27/h3-6,14-16,20H,7-13H2,1-2H3,(H,25,28)(H,26,27)/t14-,15-,16?,20+,23-/m0/s1
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InChIKey |
HHSFEYNQHTXPDX-AHTWWQKHSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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