General Information of the Compound
| Compound ID |
CP0904660
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| Compound Name |
(S)-2-amino-N-((6-(4-methoxyphenyl)-7-oxo-2,3-diphenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)methyl)-3-methylbutanamide
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| Formula |
C31H31N5O3
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| Molecular Weight |
521.621
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| Canonical SMILES |
COc1ccc(-c2c(CNC(=O)[C@@H](N)C(C)C)[nH]c3c(-c4ccccc4)c(-c4ccccc4)nn3c2=O)cc1
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| InChI |
InChI=1S/C31H31N5O3/c1-19(2)27(32)30(37)33-18-24-25(21-14-16-23(39-3)17-15-21)31(38)36-29(34-24)26(20-10-6-4-7-11-20)28(35-36)22-12-8-5-9-13-22/h4-17,19,27,34H,18,32H2,1-3H3,(H,33,37)/t27-/m0/s1
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| InChIKey |
SXNIFMBRMBGAGM-MHZLTWQESA-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