General Information of the Compound
| Compound ID |
CP0579172
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| Compound Name |
methyl N-[4-[6-[(2S)-2-amino-2,4-dimethylpentoxy]-5-chloropyridin-3-yl]pyridin-2-yl]carbamate
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| Structure |
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| Formula |
C19H25ClN4O3
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| Molecular Weight |
392.887
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| Canonical SMILES |
COC(=O)Nc1cc(ccn1)-c1cnc(OC[C@@](C)(N)CC(C)C)c(Cl)c1
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| InChI |
InChI=1S/C19H25ClN4O3/c1-12(2)9-19(3,21)11-27-17-15(20)7-14(10-23-17)13-5-6-22-16(8-13)24-18(25)26-4/h5-8,10,12H,9,11,21H2,1-4H3,(H,22,24,25)/t19-/m0/s1
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| InChIKey |
PFMMJDPMFCVRCB-IBGZPJMESA-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