General Information of the Compound
| Compound ID |
CP0393126
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| Compound Name |
(1R,3R)-3-amino-N-[3-(naphthalen-1-ylamino)-1H-indazol-5-yl]cyclohexane-1-carboxamide
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| Structure |
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| Formula |
C24H25N5O
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| Molecular Weight |
399.498
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| Canonical SMILES |
N[C@@H]1CCC[C@H](C1)C(=O)Nc1ccc2[nH]nc(Nc3cccc4ccccc34)c2c1
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| InChI |
InChI=1S/C24H25N5O/c25-17-8-3-7-16(13-17)24(30)26-18-11-12-22-20(14-18)23(29-28-22)27-21-10-4-6-15-5-1-2-9-19(15)21/h1-2,4-6,9-12,14,16-17H,3,7-8,13,25H2,(H,26,30)(H2,27,28,29)/t16-,17-/m1/s1
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| InChIKey |
WKHKPYJZGLRMEQ-IAGOWNOFSA-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