General Information of the Compound
| Compound ID |
CP0444065
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| Compound Name |
(3R,5S)-1-benzyl-N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-3,5-dihydro-2H-pyrido[3,4-e][1,4]diazepine-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(CNC(=O)N2[C@H](C)CN(Cc3ccccc3)c3cnccc3[C@@H]2C)cc1
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| InChI |
InChI=1S/C26H30N4O2/c1-19-17-29(18-22-7-5-4-6-8-22)25-16-27-14-13-24(25)20(2)30(19)26(31)28-15-21-9-11-23(32-3)12-10-21/h4-14,16,19-20H,15,17-18H2,1-3H3,(H,28,31)/t19-,20+/m1/s1
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| InChIKey |
CLFJPBGQNIDAPB-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