General Information of the Compound
| Compound ID |
CP0917514
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| Compound Name |
cis-(1S,3R)-3-fluorophenethyl 3-(3-(3-chlorophenethyl)-2,4,6-trioxotetrahydropyrimidin-1(2H)-yl)cyclopentanecarboxylate
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| Structure |
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| Formula |
C26H26ClFN2O5
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| Molecular Weight |
500.954
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| Canonical SMILES |
O=C(OCCc1cccc(F)c1)[C@H]1CC[C@@H](N2C(=O)CC(=O)N(CCc3cccc(Cl)c3)C2=O)C1
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| InChI |
InChI=1S/C26H26ClFN2O5/c27-20-5-1-3-17(13-20)9-11-29-23(31)16-24(32)30(26(29)34)22-8-7-19(15-22)25(33)35-12-10-18-4-2-6-21(28)14-18/h1-6,13-14,19,22H,7-12,15-16H2/t19-,22+/m0/s1
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| InChIKey |
MXDYXHKBYFGBDF-SIKLNZKXSA-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