General Information of the Compound
| Compound ID |
CP0569146
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| Compound Name |
2-[4-[(2R,4S)-4-(3-chlorophenyl)pyrrolidine-2-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
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| Structure |
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| Formula |
C21H22ClN5O
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| Molecular Weight |
395.894
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| Canonical SMILES |
Clc1cccc(c1)[C@H]1CN[C@H](C1)C(=O)N1CCN(CC1)c1ncccc1C#N
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| InChI |
InChI=1S/C21H22ClN5O/c22-18-5-1-3-15(11-18)17-12-19(25-14-17)21(28)27-9-7-26(8-10-27)20-16(13-23)4-2-6-24-20/h1-6,11,17,19,25H,7-10,12,14H2/t17-,19-/m1/s1
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| InChIKey |
LUHDJLJDTWRZTJ-IEBWSBKVSA-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