General Information of the Compound
| Compound ID |
CP0396289
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| Compound Name |
1-[(3R,5S)-3,5-dimethyl-1-(3-methylbutyl)-3,5-dihydro-2H-1,4-benzodiazepin-4-yl]-3-pyridin-3-ylpropan-1-one
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| Structure |
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| Formula |
C24H33N3O
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| Molecular Weight |
379.548
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| Canonical SMILES |
CC(C)CCN1C[C@@H](C)N([C@@H](C)c2ccccc12)C(=O)CCc1cccnc1
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| InChI |
InChI=1S/C24H33N3O/c1-18(2)13-15-26-17-19(3)27(20(4)22-9-5-6-10-23(22)26)24(28)12-11-21-8-7-14-25-16-21/h5-10,14,16,18-20H,11-13,15,17H2,1-4H3/t19-,20+/m1/s1
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| InChIKey |
SKLATZHLNGJXPX-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