General Information of the Compound
| Compound ID |
CP0136435
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| Compound Name |
(S)-2-chloro-4-((1-methylpyrrolidin-3-yl)(pyridin-2-ylmethyl)amino)benzonitrile
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| Structure |
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| Formula |
C18H19ClN4
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| Molecular Weight |
326.831
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| Canonical SMILES |
CN1CC[C@@H](C1)N(Cc1ccccn1)c1ccc(C#N)c(Cl)c1
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| InChI |
InChI=1S/C18H19ClN4/c1-22-9-7-17(13-22)23(12-15-4-2-3-8-21-15)16-6-5-14(11-20)18(19)10-16/h2-6,8,10,17H,7,9,12-13H2,1H3/t17-/m0/s1
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| InChIKey |
DSQRFKXGBMHWQO-KRWDZBQOSA-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