General Information of the Compound
| Compound ID |
CP0523863
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| Compound Name |
2-[7-[3-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]propoxy]-3-(3-chlorophenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C28H36ClN5O3
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| Molecular Weight |
526.081
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| Canonical SMILES |
CC(C)NC(=O)Cn1c(cn2cc(OCCCN3CCN4CCC[C@@H]4C3)cc2c1=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C28H36ClN5O3/c1-20(2)30-27(35)19-34-26(21-6-3-7-22(29)14-21)18-33-17-24(15-25(33)28(34)36)37-13-5-9-31-11-12-32-10-4-8-23(32)16-31/h3,6-7,14-15,17-18,20,23H,4-5,8-13,16,19H2,1-2H3,(H,30,35)/t23-/m1/s1
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| InChIKey |
HUSBPZVSDQYUSW-HSZRJFAPSA-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