General Information of the Compound
| Compound ID |
CP0436379
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| Compound Name |
N-[7-[(3-chloro-4-fluorophenyl)carbamoyl-[3-(4-methylpiperazin-1-yl)propyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]acetamide
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| Structure |
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| Formula |
C27H35ClFN5O2
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| Molecular Weight |
516.061
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| Canonical SMILES |
CN1CCN(CCCN(C2CCc3ccc(NC(C)=O)cc3C2)C(=O)Nc2ccc(F)c(Cl)c2)CC1
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| InChI |
InChI=1S/C27H35ClFN5O2/c1-19(35)30-22-6-4-20-5-8-24(17-21(20)16-22)34(11-3-10-33-14-12-32(2)13-15-33)27(36)31-23-7-9-26(29)25(28)18-23/h4,6-7,9,16,18,24H,3,5,8,10-15,17H2,1-2H3,(H,30,35)(H,31,36)
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| InChIKey |
NDXIREGXKRWDPJ-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