General Information of the Compound
| Compound ID |
CP0423786
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| Compound Name |
N-benzyl-2-[3-(4-phenylphenyl)-2-(5-pyrrolidin-1-ylpentylsulfanyl)-4H-quinazolin-4-yl]acetamide
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| Structure |
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| Formula |
C38H42N4OS
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| Molecular Weight |
602.848
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| Canonical SMILES |
O=C(CC1N(C(SCCCCCN2CCCC2)=Nc2ccccc12)c1ccc(cc1)-c1ccccc1)NCc1ccccc1
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| InChI |
InChI=1S/C38H42N4OS/c43-37(39-29-30-14-4-1-5-15-30)28-36-34-18-8-9-19-35(34)40-38(44-27-13-3-10-24-41-25-11-12-26-41)42(36)33-22-20-32(21-23-33)31-16-6-2-7-17-31/h1-2,4-9,14-23,36H,3,10-13,24-29H2,(H,39,43)
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| InChIKey |
NGUAIHUUBCVZQW-UHFFFAOYSA-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