General Information of the Compound
| Compound ID |
CP0513265
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| Compound Name |
[(3aS,5S,6aR)-5-[(3-methoxyoxan-4-yl)amino]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[5-[6-(trifluoromethyl)pyrimidin-4-yl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone
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| Structure |
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| Formula |
C24H32F3N5O4
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| Molecular Weight |
511.545
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| Canonical SMILES |
COC1COCCC1N[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1CC2CC1CN2c1cc(ncn1)C(F)(F)F
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| InChI |
InChI=1S/C24H32F3N5O4/c1-34-18-12-35-4-2-17(18)30-14-6-20-23(9-14,3-5-36-20)22(33)32-11-15-7-16(32)10-31(15)21-8-19(24(25,26)27)28-13-29-21/h8,13-18,20,30H,2-7,9-12H2,1H3/t14-,15?,16?,17?,18?,20-,23-/m1/s1
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| InChIKey |
NXKKFEUGDWTWKD-OLEBWOFGSA-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