General Information of the Compound
| Compound ID |
CP0382616
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| Compound Name |
(2S,5S)-N,1-dibenzyl-2,5-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
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| Structure |
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| Formula |
C26H29N3O
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| Molecular Weight |
399.538
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| Canonical SMILES |
C[C@H]1CN([C@@H](C)c2ccccc2N1Cc1ccccc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C26H29N3O/c1-20-18-29(26(30)27-17-22-11-5-3-6-12-22)21(2)24-15-9-10-16-25(24)28(20)19-23-13-7-4-8-14-23/h3-16,20-21H,17-19H2,1-2H3,(H,27,30)/t20-,21-/m0/s1
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| InChIKey |
YLBJFQXCNGOXMS-SFTDATJTSA-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