General Information of the Compound
| Compound ID |
CP0377007
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| Compound Name |
(3R,5S)-N-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1-(3-methylbutyl)-3,5-dihydro-2H-pyrido[3,4-e][1,4]diazepine-4-carboxamide
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| Structure |
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| Formula |
C24H34N4O2
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| Molecular Weight |
410.562
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| Canonical SMILES |
COc1ccc(CNC(=O)N2[C@H](C)CN(CCC(C)C)c3cnccc3[C@@H]2C)cc1
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| InChI |
InChI=1S/C24H34N4O2/c1-17(2)11-13-27-16-18(3)28(19(4)22-10-12-25-15-23(22)27)24(29)26-14-20-6-8-21(30-5)9-7-20/h6-10,12,15,17-19H,11,13-14,16H2,1-5H3,(H,26,29)/t18-,19+/m1/s1
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| InChIKey |
XQYOVNZLIOPUGU-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