General Information of the Compound
| Compound ID |
CP0920690
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| Compound Name |
(3R,4R,5S)-1-{[(3S,4R)-1-tert-Butyl-4-(2,4-difluorophenyl)-pyrrolidin-3-yl]carbonyl}-3,5-dimethyl-4-pyrimidin-5-ylpiperidin-4-ol Dihydrochloride
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| Formula |
C26H36Cl2F2N4O2
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| Molecular Weight |
545.502
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| Canonical SMILES |
C[C@@H]1CN(C(=O)[C@@H]2CN(C(C)(C)C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1cncnc1.Cl.Cl
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| InChI |
InChI=1S/C26H34F2N4O2.2ClH/c1-16-11-31(12-17(2)26(16,34)18-9-29-15-30-10-18)24(33)22-14-32(25(3,4)5)13-21(22)20-7-6-19(27)8-23(20)28;;/h6-10,15-17,21-22,34H,11-14H2,1-5H3;2*1H/t16-,17+,21-,22+,26-;;/m0../s1
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| InChIKey |
YBRDWENGZLPIFH-GKSLIBECSA-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