General Information of the Compound
| Compound ID |
CP0376107
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| Compound Name |
(5S)-5-[3-[4-[(R)-hydroxy(pyridin-3-yl)methyl]piperidin-1-yl]-3-oxopropyl]-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
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| Structure |
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| Formula |
C29H33N3O3
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| Molecular Weight |
471.601
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| Canonical SMILES |
O[C@H](C1CCN(CC1)C(=O)CC[C@]1(Cc2cccc3ccccc23)CCC(=O)N1)c1cccnc1
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| InChI |
InChI=1S/C29H33N3O3/c33-26-10-14-29(31-26,19-23-7-3-6-21-5-1-2-9-25(21)23)15-11-27(34)32-17-12-22(13-18-32)28(35)24-8-4-16-30-20-24/h1-9,16,20,22,28,35H,10-15,17-19H2,(H,31,33)/t28-,29+/m1/s1
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| InChIKey |
AEPHPUHVRYUFHJ-WDYNHAJCSA-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