General Information of the Compound
| Compound ID |
CP0848478
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| Compound Name |
(S)-benzyl3-(3-(3-Chlorophenethyl)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C24H24ClN3O5
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| Molecular Weight |
469.925
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| Canonical SMILES |
O=C(OCc1ccccc1)N1CC[C@H](N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)C1
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| InChI |
InChI=1S/C24H24ClN3O5/c25-19-8-4-7-17(13-19)9-12-27-21(29)14-22(30)28(23(27)31)20-10-11-26(15-20)24(32)33-16-18-5-2-1-3-6-18/h1-8,13,20H,9-12,14-16H2/t20-/m0/s1
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| InChIKey |
GSTUJNXTXYWKKT-FQEVSTJZSA-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
Protein ID: PT06040, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT06039, Voltage-dependent L-type calcium channel subunit alpha-1D