General Information of the Compound
| Compound ID |
CP0173346
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| Compound Name |
4-[3,3-dimethyl-2-oxo-4-(5-trifluoromethyl-pyridin-2-yloxymethyl)-pyrrolidin-1-yl]-adamantane-1-carboxamidine
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| Formula |
C24H31F3N4O2
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| Molecular Weight |
464.532
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| Canonical SMILES |
CC1(C)C(COc2ccc(cn2)C(F)(F)F)CN([C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=N)C1=O
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| InChI |
InChI=1S/C24H31F3N4O2/c1-22(2)17(12-33-18-4-3-16(10-30-18)24(25,26)27)11-31(21(22)32)19-14-5-13-6-15(19)9-23(7-13,8-14)20(28)29/h3-4,10,13-15,17,19H,5-9,11-12H2,1-2H3,(H3,28,29)/t13?,14?,15?,17?,19-,23-
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| InChIKey |
DIFGDVMRNDYUGR-WFEZEDJFSA-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