General Information of the Compound
| Compound ID |
CP0460954
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| Compound Name |
S-[2-[4-(3-aminopropylcarbamoyl)-2-chloroanilino]-2-oxoethyl] 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbothioate
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| Structure |
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| Formula |
C22H23Cl3N4O3S
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| Molecular Weight |
529.877
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| Canonical SMILES |
NCCCNC(=O)c1ccc(NC(=O)CSC(=O)N2CCCc3cc(Cl)cc(Cl)c23)c(Cl)c1
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| InChI |
InChI=1S/C22H23Cl3N4O3S/c23-15-9-13-3-1-8-29(20(13)17(25)11-15)22(32)33-12-19(30)28-18-5-4-14(10-16(18)24)21(31)27-7-2-6-26/h4-5,9-11H,1-3,6-8,12,26H2,(H,27,31)(H,28,30)
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| InChIKey |
HMOAABYAIGYFNW-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