General Information of the Compound
| Compound ID |
CP0404345
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| Compound Name |
2-chloro-4-[[(3R,4S)-4-hydroxy-4-methyloxolan-3-yl]amino]-3-methylbenzonitrile
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| Structure |
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| Formula |
C13H15ClN2O2
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| Molecular Weight |
266.728
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| Canonical SMILES |
Cc1c(N[C@@H]2COC[C@@]2(C)O)ccc(C#N)c1Cl
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| InChI |
InChI=1S/C13H15ClN2O2/c1-8-10(4-3-9(5-15)12(8)14)16-11-6-18-7-13(11,2)17/h3-4,11,16-17H,6-7H2,1-2H3/t11-,13-/m1/s1
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| InChIKey |
SNHUIUFMXNZBIZ-DGCLKSJQSA-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