General Information of the Compound
| Compound ID |
CP0717768
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| Compound Name |
(R)-N-(4-(1H-pyrazol-4-yl)-2-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-6-methoxychroman-3-carboxamide
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| Structure |
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| Formula |
C26H30N4O4
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| Molecular Weight |
462.55
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| Canonical SMILES |
COc1ccc2c(c1)C[C@@H](C(=O)Nc1ccc(-c3cn[nH]c3)cc1OCCN1CCCC1)CO2
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| InChI |
InChI=1S/C26H30N4O4/c1-32-22-5-7-24-19(13-22)12-20(17-34-24)26(31)29-23-6-4-18(21-15-27-28-16-21)14-25(23)33-11-10-30-8-2-3-9-30/h4-7,13-16,20H,2-3,8-12,17H2,1H3,(H,27,28)(H,29,31)/t20-/m1/s1
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| InChIKey |
KJLWLVXGLALEPO-HXUWFJFHSA-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