General Information of the Compound
| Compound ID |
CP0716120
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| Compound Name |
(R)-6-methoxy-N-(2-((R)-1-methylpyrrolidin-3-yloxy)-4-(1H-pyrazol-4-yl)phenyl)chroman-3-carboxamide
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| Structure |
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| Formula |
C25H28N4O4
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| Molecular Weight |
448.523
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| Canonical SMILES |
COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1O[C@@H]1CCN(C)C1)CO2
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| InChI |
InChI=1S/C25H28N4O4/c1-29-8-7-21(14-29)33-24-11-16(19-12-26-27-13-19)3-5-22(24)28-25(30)18-9-17-10-20(31-2)4-6-23(17)32-15-18/h3-6,10-13,18,21H,7-9,14-15H2,1-2H3,(H,26,27)(H,28,30)/t18-,21-/m1/s1
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| InChIKey |
OZBHPAKTNOSDFP-WIYYLYMNSA-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