General Information of the Compound
| Compound ID |
CP0744509
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| Compound Name |
(S)-2-(4-(2-(2-cyanopyrrolidin-1-yl)-2-oxoethylamino)-4-methylpiperidin-1-yl)isonicotinic acid
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| Structure |
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| Formula |
C19H25N5O3
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| Molecular Weight |
371.441
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| Canonical SMILES |
CC1(NCC(=O)N2CCC[C@H]2C#N)CCN(c2cc(C(=O)O)ccn2)CC1
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| InChI |
InChI=1S/C19H25N5O3/c1-19(22-13-17(25)24-8-2-3-15(24)12-20)5-9-23(10-6-19)16-11-14(18(26)27)4-7-21-16/h4,7,11,15,22H,2-3,5-6,8-10,13H2,1H3,(H,26,27)/t15-/m0/s1
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| InChIKey |
IOAAMFBNDAGZGU-HNNXBMFYSA-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