General Information of the Compound
| Compound ID |
CP0577418
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| Compound Name |
N-(5-hydroxy-2-adamantyl)-2-[(2R)-2-methyl-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C27H32F3N5O2
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| Molecular Weight |
515.58
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1nccc(n1)C(=O)NC1C2CC3CC1CC(O)(C3)C2)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H32F3N5O2/c1-16-15-34(21-4-2-20(3-5-21)27(28,29)30)8-9-35(16)25-31-7-6-22(32-25)24(36)33-23-18-10-17-11-19(23)14-26(37,12-17)13-18/h2-7,16-19,23,37H,8-15H2,1H3,(H,33,36)/t16-,17?,18?,19?,23?,26?/m1/s1
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| InChIKey |
WLCTTWZCAZCNNW-AXKOFXMCSA-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