General Information of the Compound
| Compound ID |
CP0373851
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| Compound Name |
2-(3-Phenyl-2-piperidin-1-yl-3,4-dihydro-quinazolin-4-yl)-N-[4-(toluene-4-sulfonylamino)-benzyl]-acetamide
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| Synonyms |
KYS-05041
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| Structure |
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| Formula |
C35H37N5O3S
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| Molecular Weight |
607.78
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(CNC(=O)CC2N(C(=Nc3ccccc23)N2CCCCC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C35H37N5O3S/c1-26-14-20-30(21-15-26)44(42,43)38-28-18-16-27(17-19-28)25-36-34(41)24-33-31-12-6-7-13-32(31)37-35(39-22-8-3-9-23-39)40(33)29-10-4-2-5-11-29/h2,4-7,10-21,33,38H,3,8-9,22-25H2,1H3,(H,36,41)
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| InChIKey |
TWRWYNXGPAASHN-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
Clinical Information about the Compound