General Information of the Compound
| Compound ID |
CP0450867
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| Compound Name |
(2R,4S)-3,3,9-trimethyl-N-[(4-methylphenyl)methyl]-8-thiatricyclo[4.3.0.02,4]nona-1(9),6-diene-7-carboxamide
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| Structure |
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| Formula |
C20H23NOS
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| Molecular Weight |
325.477
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| Canonical SMILES |
Cc1sc(C(=O)NCc2ccc(C)cc2)c2C[C@H]3[C@@H](c12)C3(C)C
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| InChI |
InChI=1S/C20H23NOS/c1-11-5-7-13(8-6-11)10-21-19(22)18-14-9-15-17(20(15,3)4)16(14)12(2)23-18/h5-8,15,17H,9-10H2,1-4H3,(H,21,22)/t15-,17-/m0/s1
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| InChIKey |
NMMJBIFECQCQOM-RDJZCZTQSA-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: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Protein ID: PT04557, Voltage-dependent T-type calcium channel subunit alpha-1H
Protein ID: PT02881, Voltage-dependent T-type calcium channel subunit alpha-1I