General Information of the Compound
| Compound ID |
CP0446022
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| Compound Name |
(3R,5S)-N,1-dibenzyl-8-fluoro-3,5-dimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide
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| Structure |
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| Formula |
C25H27FN4O
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| Molecular Weight |
418.516
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccccc2)c2nc(F)ccc2[C@H](C)N1C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C25H27FN4O/c1-18-16-29(17-21-11-7-4-8-12-21)24-22(13-14-23(26)28-24)19(2)30(18)25(31)27-15-20-9-5-3-6-10-20/h3-14,18-19H,15-17H2,1-2H3,(H,27,31)/t18-,19+/m1/s1
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| InChIKey |
JWDSGJQAZOIVIJ-MOPGFXCFSA-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