General Information of the Compound
| Compound ID |
CP0452676
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| Compound Name |
4-methoxy-N-[[1-(7-methoxynaphthalen-1-yl)cyclopropyl]methyl]-3-(4-methylpiperazin-1-yl)benzenesulfonamide
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| Structure |
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| Formula |
C27H33N3O4S
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| Molecular Weight |
495.645
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| Canonical SMILES |
COc1ccc2cccc(c2c1)C1(CNS(=O)(=O)c2ccc(OC)c(c2)N2CCN(C)CC2)CC1
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| InChI |
InChI=1S/C27H33N3O4S/c1-29-13-15-30(16-14-29)25-18-22(9-10-26(25)34-3)35(31,32)28-19-27(11-12-27)24-6-4-5-20-7-8-21(33-2)17-23(20)24/h4-10,17-18,28H,11-16,19H2,1-3H3
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| InChIKey |
CYZZLNHRWWUMSM-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