General Information of the Compound
| Compound ID |
CP0475698
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| Compound Name |
(3R,5S)-3,5-dimethyl-1-(oxan-2-ylmethyl)-N-pyridin-3-yl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
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| Structure |
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| Formula |
C23H30N4O2
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| Molecular Weight |
394.519
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| Canonical SMILES |
C[C@@H]1CN(CC2CCCCO2)c2ccccc2[C@H](C)N1C(=O)Nc1cccnc1
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| InChI |
InChI=1S/C23H30N4O2/c1-17-15-26(16-20-9-5-6-13-29-20)22-11-4-3-10-21(22)18(2)27(17)23(28)25-19-8-7-12-24-14-19/h3-4,7-8,10-12,14,17-18,20H,5-6,9,13,15-16H2,1-2H3,(H,25,28)/t17-,18+,20?/m1/s1
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| InChIKey |
OUIXCBSYDNQJPG-ZOVQDZKKSA-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