General Information of the Compound
| Compound ID |
CP0954319
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| Compound Name |
(R)-N-(1-oxo-3-phenyl-1-((1-((tetrahydro-2H-pyran-4-yl)methyl)piperidin-4-yl)methylamino)propan-2-yl)-1-(3-(thiophen-2-yl)acrylamido)cyclopentanecarboxamide
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| Structure |
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| Formula |
C34H46N4O4S
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| Molecular Weight |
606.833
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| Canonical SMILES |
O=C(/C=C/c1cccs1)NC1(C(=O)N[C@H](Cc2ccccc2)C(=O)NCC2CCN(CC3CCOCC3)CC2)CCCC1
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| InChI |
InChI=1S/C34H46N4O4S/c39-31(11-10-29-9-6-22-43-29)37-34(16-4-5-17-34)33(41)36-30(23-26-7-2-1-3-8-26)32(40)35-24-27-12-18-38(19-13-27)25-28-14-20-42-21-15-28/h1-3,6-11,22,27-28,30H,4-5,12-21,23-25H2,(H,35,40)(H,36,41)(H,37,39)/b11-10+/t30-/m1/s1
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| InChIKey |
YYVMBAILMHVRIF-GLJHGQBWSA-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