General Information of the Compound
| Compound ID |
CP0313880
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| Compound Name |
N-[(2S)-1-[[1-(3-methoxyphenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
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| Structure |
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| Formula |
C27H32N4O3S
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| Molecular Weight |
492.645
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| Canonical SMILES |
COc1cccc(c1)-n1ncc2c(NC[C@H](C)NS(=O)(=O)c3c(C)cc(C)cc3C)cc(C)cc12
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| InChI |
InChI=1S/C27H32N4O3S/c1-17-10-19(3)27(20(4)11-17)35(32,33)30-21(5)15-28-25-12-18(2)13-26-24(25)16-29-31(26)22-8-7-9-23(14-22)34-6/h7-14,16,21,28,30H,15H2,1-6H3/t21-/m0/s1
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| InChIKey |
KSAMQGLGBQWLFL-NRFANRHFSA-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