General Information of the Compound
| Compound ID |
CP0455946
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| Compound Name |
(3R,5S)-N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-[[5-(trifluoromethyl)furan-2-yl]methyl]-3,5-dihydro-2H-pyrido[3,4-e][1,4]diazepine-4-carboxamide
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| Structure |
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| Formula |
C25H27F3N4O3
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| Molecular Weight |
488.51
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| Canonical SMILES |
COc1ccc(CNC(=O)N2[C@H](C)CN(Cc3ccc(o3)C(F)(F)F)c3cnccc3[C@@H]2C)cc1
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| InChI |
InChI=1S/C25H27F3N4O3/c1-16-14-31(15-20-8-9-23(35-20)25(26,27)28)22-13-29-11-10-21(22)17(2)32(16)24(33)30-12-18-4-6-19(34-3)7-5-18/h4-11,13,16-17H,12,14-15H2,1-3H3,(H,30,33)/t16-,17+/m1/s1
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| InChIKey |
CNIBHFMXGCXGHJ-SJORKVTESA-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