General Information of the Compound
| Compound ID |
CP0099020
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| Compound Name |
3-(4-chlorobenzyl)-N-(3-(4-methylpiperidin-1-yl)propyl)-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
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| Structure |
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| Formula |
C25H29ClN4O2S
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| Molecular Weight |
485.053
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| Canonical SMILES |
CC1CCN(CCCNC(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccc(Cl)cc2)c3=O)CC1
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| InChI |
InChI=1S/C25H29ClN4O2S/c1-17-9-13-29(14-10-17)12-2-11-27-23(31)19-5-8-21-22(15-19)28-25(33)30(24(21)32)16-18-3-6-20(26)7-4-18/h3-8,15,17H,2,9-14,16H2,1H3,(H,27,31)(H,28,33)
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| InChIKey |
DBDVPOWGJBLQMN-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: PT06109, Geminin
Protein ID: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G