General Information of the Compound
| Compound ID |
CP0322271
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| Compound Name |
5-[2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]phenyl]-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
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| Formula |
C28H38N6O2
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| Molecular Weight |
490.652
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| Canonical SMILES |
O=C(NCCCN1CCCC1)c1cncc(c1)-c1ccccc1N1CCN(CC1)C(=O)[C@H]1CCCN1
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| InChI |
InChI=1S/C28H38N6O2/c35-27(31-11-6-14-32-12-3-4-13-32)23-19-22(20-29-21-23)24-7-1-2-9-26(24)33-15-17-34(18-16-33)28(36)25-8-5-10-30-25/h1-2,7,9,19-21,25,30H,3-6,8,10-18H2,(H,31,35)/t25-/m1/s1
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| InChIKey |
CLEZJKKVXIZRPG-RUZDIDTESA-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