General Information of the Compound
| Compound ID |
CP0313412
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| Compound Name |
2-[[2-amino-5-[4-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]pyridin-3-yl]oxymethyl]benzonitrile
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| Structure |
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| Formula |
C29H31N5O2
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| Molecular Weight |
481.6
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| Canonical SMILES |
Nc1ncc(cc1OCc1ccccc1C#N)-c1ccc(cc1)C(=O)N1CCC[C@@H]1CN1CCCC1
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| InChI |
InChI=1S/C29H31N5O2/c30-17-23-6-1-2-7-24(23)20-36-27-16-25(18-32-28(27)31)21-9-11-22(12-10-21)29(35)34-15-5-8-26(34)19-33-13-3-4-14-33/h1-2,6-7,9-12,16,18,26H,3-5,8,13-15,19-20H2,(H2,31,32)/t26-/m1/s1
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| InChIKey |
NHXSULDTYDKXNA-AREMUKBSSA-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