General Information of the Compound
| Compound ID |
CP0382628
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| Compound Name |
(3R)-1-benzyl-3-methyl-4-(2-phenylethyl)-2,3-dihydro-1,4-benzodiazepin-5-one
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| Structure |
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| Formula |
C25H26N2O
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| Molecular Weight |
370.496
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccccc2)c2ccccc2C(=O)N1CCc1ccccc1
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| InChI |
InChI=1S/C25H26N2O/c1-20-18-26(19-22-12-6-3-7-13-22)24-15-9-8-14-23(24)25(28)27(20)17-16-21-10-4-2-5-11-21/h2-15,20H,16-19H2,1H3/t20-/m1/s1
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| InChIKey |
QHKJELCIBOZDRA-HXUWFJFHSA-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