General Information of the Compound
| Compound ID |
CP0382577
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| Compound Name |
(3R,5S)-1-benzyl-3,5-dimethyl-4-(oxan-4-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine
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| Structure |
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| Formula |
C24H32N2O
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| Molecular Weight |
364.533
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccccc2)c2ccccc2[C@H](C)N1CC1CCOCC1
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| InChI |
InChI=1S/C24H32N2O/c1-19-16-25(17-21-8-4-3-5-9-21)24-11-7-6-10-23(24)20(2)26(19)18-22-12-14-27-15-13-22/h3-11,19-20,22H,12-18H2,1-2H3/t19-,20+/m1/s1
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| InChIKey |
VXRAVRUBPZHCPR-UXHICEINSA-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