General Information of the Compound
| Compound ID |
CP0382624
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| Compound Name |
(3R,5S)-N-benzyl-1-[(2,3-difluorophenyl)methyl]-3,5-dimethyl-3,5-dihydro-2H-pyrido[3,4-e][1,4]diazepine-4-carboxamide
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| Structure |
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| Formula |
C25H26F2N4O
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| Molecular Weight |
436.506
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| Canonical SMILES |
C[C@@H]1CN(Cc2cccc(F)c2F)c2cnccc2[C@H](C)N1C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C25H26F2N4O/c1-17-15-30(16-20-9-6-10-22(26)24(20)27)23-14-28-12-11-21(23)18(2)31(17)25(32)29-13-19-7-4-3-5-8-19/h3-12,14,17-18H,13,15-16H2,1-2H3,(H,29,32)/t17-,18+/m1/s1
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| InChIKey |
REFLPTMVRZJXOJ-MSOLQXFVSA-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