General Information of the Compound
| Compound ID |
CP0396294
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| Compound Name |
(3R,5S)-N-benzyl-1-[(6-methoxypyridin-3-yl)methyl]-3,5-dimethyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
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| Structure |
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| Formula |
C26H30N4O2
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| Molecular Weight |
430.552
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| Canonical SMILES |
COc1ccc(CN2C[C@@H](C)N([C@@H](C)c3ccccc23)C(=O)NCc2ccccc2)cn1
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| InChI |
InChI=1S/C26H30N4O2/c1-19-17-29(18-22-13-14-25(32-3)27-16-22)24-12-8-7-11-23(24)20(2)30(19)26(31)28-15-21-9-5-4-6-10-21/h4-14,16,19-20H,15,17-18H2,1-3H3,(H,28,31)/t19-,20+/m1/s1
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| InChIKey |
BTJDQFBAKDDPOT-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