General Information of the Compound
| Compound ID |
CP0870883
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| Compound Name |
(+/-)-N-Benzyl-3,5-dimethyl-1-(phenylmethyl-d2)-1,2,3,5-tetrahydro-4H-pyrido[3,4-e][1,4]diazepine-4-carboxamide
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| Structure |
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| Formula |
C25H28N4O
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| Molecular Weight |
402.5382036
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| Canonical SMILES |
[2H]C([2H])(c1ccccc1)N1C[C@@H](C)N(C(=O)NCc2ccccc2)[C@@H](C)c2ccncc21
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| InChI |
InChI=1S/C25H28N4O/c1-19-17-28(18-22-11-7-4-8-12-22)24-16-26-14-13-23(24)20(2)29(19)25(30)27-15-21-9-5-3-6-10-21/h3-14,16,19-20H,15,17-18H2,1-2H3,(H,27,30)/t19-,20+/m1/s1/i18D2
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| InChIKey |
QGMUDAKKGSLGLA-YCNZLKRLSA-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