General Information of the Compound
| Compound ID |
CP0452701
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| Compound Name |
(3R,5S)-1-benzyl-3,5-dimethyl-N-(oxetan-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
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| Structure |
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| Formula |
C22H27N3O2
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| Molecular Weight |
365.477
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccccc2)c2ccccc2[C@H](C)N1C(=O)NC1COC1
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| InChI |
InChI=1S/C22H27N3O2/c1-16-12-24(13-18-8-4-3-5-9-18)21-11-7-6-10-20(21)17(2)25(16)22(26)23-19-14-27-15-19/h3-11,16-17,19H,12-15H2,1-2H3,(H,23,26)/t16-,17+/m1/s1
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| InChIKey |
JJKNTWZITITEHD-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