General Information of the Compound
| Compound ID |
CP0482635
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| Compound Name |
3-amino-N-[3-(4-bromoanilino)-1H-indazol-5-yl]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C20H22BrN5O
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| Molecular Weight |
428.334
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| Canonical SMILES |
NC1CCCC(C1)C(=O)Nc1ccc2[nH]nc(Nc3ccc(Br)cc3)c2c1
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| InChI |
InChI=1S/C20H22BrN5O/c21-13-4-6-15(7-5-13)23-19-17-11-16(8-9-18(17)25-26-19)24-20(27)12-2-1-3-14(22)10-12/h4-9,11-12,14H,1-3,10,22H2,(H,24,27)(H2,23,25,26)
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| InChIKey |
CPVNDTFESPGVBB-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