General Information of the Compound
| Compound ID |
CP0382622
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| Compound Name |
(3R,5S)-1-benzyl-8-fluoro-7-methoxy-3,5-dimethyl-N-pyridin-3-yl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide
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| Structure |
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| Formula |
C25H27FN4O2
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| Molecular Weight |
434.515
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| Canonical SMILES |
COc1cc2[C@H](C)N([C@H](C)CN(Cc3ccccc3)c2cc1F)C(=O)Nc1cccnc1
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| InChI |
InChI=1S/C25H27FN4O2/c1-17-15-29(16-19-8-5-4-6-9-19)23-13-22(26)24(32-3)12-21(23)18(2)30(17)25(31)28-20-10-7-11-27-14-20/h4-14,17-18H,15-16H2,1-3H3,(H,28,31)/t17-,18+/m1/s1
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| InChIKey |
QLYUDMMUUNLMPP-MSOLQXFVSA-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