General Information of the Compound
| Compound ID |
CP0573393
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| Compound Name |
5-[[1-[4-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]phenyl]cyclopentyl]amino]-5-oxopentanoic acid
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| Structure |
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| Formula |
C29H38N2O3
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| Molecular Weight |
462.634
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| Canonical SMILES |
C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)C1(CCCC1)NC(=O)CCCC(O)=O
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| InChI |
InChI=1S/C29H38N2O3/c1-22-6-5-20-31(22)21-17-23-9-11-24(12-10-23)25-13-15-26(16-14-25)29(18-2-3-19-29)30-27(32)7-4-8-28(33)34/h9-16,22H,2-8,17-21H2,1H3,(H,30,32)(H,33,34)/t22-/m1/s1
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| InChIKey |
OIJOAYUCGZZKRF-JOCHJYFZSA-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