General Information of the Compound
| Compound ID |
CP0422815
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| Compound Name |
4-chloro-N-((3S,4R)-6-cyano-3-hydroxy-2,2-dimethylchroman-4-yl)nicotinamide
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| Structure |
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| Formula |
C18H16ClN3O3
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| Molecular Weight |
357.797
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| Canonical SMILES |
CC1(C)Oc2ccc(cc2[C@@H](NC(=O)c2cnccc2Cl)[C@@H]1O)C#N
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| InChI |
InChI=1S/C18H16ClN3O3/c1-18(2)16(23)15(11-7-10(8-20)3-4-14(11)25-18)22-17(24)12-9-21-6-5-13(12)19/h3-7,9,15-16,23H,1-2H3,(H,22,24)/t15-,16+/m1/s1
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| InChIKey |
DKLSANAPYHSDAF-CVEARBPZSA-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