General Information of the Compound
| Compound ID |
CP0384704
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| Compound Name |
ethyl 4-(2-adamantylamino)-1-[(4-chloro-2-fluorophenyl)methyl]-3,6-dihydro-2H-pyridine-5-carboxylate
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| Structure |
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| Formula |
C25H32ClFN2O2
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| Molecular Weight |
446.994
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| Canonical SMILES |
CCOC(=O)C1=C(CCN(Cc2ccc(Cl)cc2F)C1)NC1C2CC3CC(C2)CC1C3
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| InChI |
InChI=1S/C25H32ClFN2O2/c1-2-31-25(30)21-14-29(13-17-3-4-20(26)12-22(17)27)6-5-23(21)28-24-18-8-15-7-16(10-18)11-19(24)9-15/h3-4,12,15-16,18-19,24,28H,2,5-11,13-14H2,1H3
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| InChIKey |
QEILGDYHSVOETD-UHFFFAOYSA-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