General Information of the Compound
| Compound ID |
CP0544965
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| Compound Name |
2-amino-N-cyclopropyl-5-[2-[(1S)-1-cyclopropylethyl]-1-oxo-7-(trifluoromethoxy)-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C24H23F3N6O3
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| Molecular Weight |
500.481
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(OC(F)(F)F)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1
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| InChI |
InChI=1S/C24H23F3N6O3/c1-11(12-2-3-12)32-10-14-8-13(9-17(18(14)23(32)35)36-24(25,26)27)16-6-7-33-21(30-16)19(20(28)31-33)22(34)29-15-4-5-15/h6-9,11-12,15H,2-5,10H2,1H3,(H2,28,31)(H,29,34)/t11-/m0/s1
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| InChIKey |
TUHXTSZPVFFXOL-NSHDSACASA-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