General Information of the Compound
| Compound ID |
CP0444064
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| Compound Name |
(3R,5S)-N-benzyl-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
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| Structure |
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| Formula |
C25H35N3O2
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| Molecular Weight |
409.574
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| Canonical SMILES |
C[C@@H]1CN(CCOC(C)(C)C)c2ccccc2[C@H](C)N1C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C25H35N3O2/c1-19-18-27(15-16-30-25(3,4)5)23-14-10-9-13-22(23)20(2)28(19)24(29)26-17-21-11-7-6-8-12-21/h6-14,19-20H,15-18H2,1-5H3,(H,26,29)/t19-,20+/m1/s1
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| InChIKey |
NCGFNLQQRQDDEQ-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