General Information of the Compound
| Compound ID |
CP0178029
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| Compound Name |
(3R)-N-cyclopentyl-1-[2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylanilino]-2-oxoethyl]pyrrolidine-3-carboxamide
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| Structure |
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| Formula |
C28H33N9O2S
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| Molecular Weight |
559.7
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| Canonical SMILES |
Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NC4CCCC4)cc3)nn3cccc23)n[nH]1
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| InChI |
InChI=1S/C28H33N9O2S/c1-18-15-24(34-33-18)31-26-23-7-4-13-37(23)35-28(32-26)40-22-10-8-21(9-11-22)29-25(38)17-36-14-12-19(16-36)27(39)30-20-5-2-3-6-20/h4,7-11,13,15,19-20H,2-3,5-6,12,14,16-17H2,1H3,(H,29,38)(H,30,39)(H2,31,32,33,34,35)/t19-/m1/s1
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| InChIKey |
MXHHONGZVDTFNW-LJQANCHMSA-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