General Information of the Compound
| Compound ID |
CP0508459
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| Compound Name |
1-[[4-[(6-aminohexylamino)methyl]phenyl]methyl]-5-(4-chloro-3-methylphenyl)-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide
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| Structure |
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| Formula |
C35H48ClN5O
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| Molecular Weight |
590.256
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| Canonical SMILES |
Cc1cc(ccc1Cl)-c1cc(nn1Cc1ccc(CNCCCCCCN)cc1)C(=O)NC1C2(C)CCC(C2)C1(C)C
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| InChI |
InChI=1S/C35H48ClN5O/c1-24-19-27(13-14-29(24)36)31-20-30(32(42)39-33-34(2,3)28-15-16-35(33,4)21-28)40-41(31)23-26-11-9-25(10-12-26)22-38-18-8-6-5-7-17-37/h9-14,19-20,28,33,38H,5-8,15-18,21-23,37H2,1-4H3,(H,39,42)
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| InChIKey |
RPGHSWDZIOSBOB-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