General Information of the Compound
| Compound ID |
CP0271591
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| Compound Name |
N-[4-[6-[[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetyl]amino]-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
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| Structure |
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| Formula |
C27H31N9O3S
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| Molecular Weight |
561.672
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| Canonical SMILES |
Cc1cc(Nc2nc(Sc3ccc(NC(=O)C4CC4)cc3)nn3cc(NC(=O)CN4CCC[C@@H]4CO)cc23)[nH]n1
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| InChI |
InChI=1S/C27H31N9O3S/c1-16-11-23(33-32-16)30-25-22-12-19(28-24(38)14-35-10-2-3-20(35)15-37)13-36(22)34-27(31-25)40-21-8-6-18(7-9-21)29-26(39)17-4-5-17/h6-9,11-13,17,20,37H,2-5,10,14-15H2,1H3,(H,28,38)(H,29,39)(H2,30,31,32,33,34)/t20-/m1/s1
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| InChIKey |
LSEOXFVSQOHSDK-HXUWFJFHSA-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