General Information of the Compound
| Compound ID |
CP0396291
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| Compound Name |
(3R,5S)-N,1-dibenzyl-3,5,8-trimethyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide
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| Structure |
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| Formula |
C26H30N4O
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| Molecular Weight |
414.553
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| Canonical SMILES |
C[C@@H]1CN(Cc2ccccc2)c2nc(C)ccc2[C@H](C)N1C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C26H30N4O/c1-19-14-15-24-21(3)30(26(31)27-16-22-10-6-4-7-11-22)20(2)17-29(25(24)28-19)18-23-12-8-5-9-13-23/h4-15,20-21H,16-18H2,1-3H3,(H,27,31)/t20-,21+/m1/s1
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| InChIKey |
QSHWTNUNZINWPC-RTWAWAEBSA-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