General Information of the Compound
| Compound ID |
CP0453521
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| Compound Name |
cyclohexyl-[(3S,4S)-3-[[4-[cyclopropylmethyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]-4-phenylpyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C32H44N4O
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| Molecular Weight |
500.731
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| Canonical SMILES |
O=C(C1CCCCC1)N1C[C@H](CN2CCC(CC2)N(CC2CC2)c2ccccn2)[C@H](C1)c1ccccc1
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| InChI |
InChI=1S/C32H44N4O/c37-32(27-11-5-2-6-12-27)35-23-28(30(24-35)26-9-3-1-4-10-26)22-34-19-16-29(17-20-34)36(21-25-14-15-25)31-13-7-8-18-33-31/h1,3-4,7-10,13,18,25,27-30H,2,5-6,11-12,14-17,19-24H2/t28-,30+/m0/s1
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| InChIKey |
DBYLVFWCKXCJGF-MFMCTBQISA-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