General Information of the Compound
| Compound ID |
CP0396295
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| Compound Name |
(3R,5S)-N-benzyl-1-ethyl-3,5-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
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| Structure |
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| Formula |
C21H27N3O
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| Molecular Weight |
337.467
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| Canonical SMILES |
CCN1C[C@@H](C)N([C@@H](C)c2ccccc12)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C21H27N3O/c1-4-23-15-16(2)24(17(3)19-12-8-9-13-20(19)23)21(25)22-14-18-10-6-5-7-11-18/h5-13,16-17H,4,14-15H2,1-3H3,(H,22,25)/t16-,17+/m1/s1
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| InChIKey |
OYWXPJINVNKUFR-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