General Information of the Compound
| Compound ID |
CP0506173
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| Compound Name |
N-[3-[3-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C31H26F3N5O
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| Molecular Weight |
541.577
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2c(cnn12)-c1ccc(CN2CCCC2)cc1
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| InChI |
InChI=1S/C31H26F3N5O/c32-31(33,34)25-7-3-6-24(17-25)30(40)37-26-8-4-5-23(18-26)28-13-14-35-29-27(19-36-39(28)29)22-11-9-21(10-12-22)20-38-15-1-2-16-38/h3-14,17-19H,1-2,15-16,20H2,(H,37,40)
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| InChIKey |
APMUVXPIJNPXQE-UHFFFAOYSA-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