General Information of the Compound
| Compound ID |
CP0078192
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| Compound Name |
N-[(2S,3R)-4-[[(4S)-6,6-dimethyl-2-(2-methylpropyl)-5,7-dihydro-4H-indazol-4-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]acetamide
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| Structure |
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| Formula |
C25H38N4O2
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| Molecular Weight |
426.605
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| Canonical SMILES |
CC(C)Cn1cc2[C@H](CC(C)(C)Cc2n1)NC[C@@H](O)[C@H](Cc1ccccc1)NC(C)=O
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| InChI |
InChI=1S/C25H38N4O2/c1-17(2)15-29-16-20-22(12-25(4,5)13-23(20)28-29)26-14-24(31)21(27-18(3)30)11-19-9-7-6-8-10-19/h6-10,16-17,21-22,24,26,31H,11-15H2,1-5H3,(H,27,30)/t21-,22-,24+/m0/s1
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| InChIKey |
PISWYTCLVHPEEE-WPFOTENUSA-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