General Information of the Compound
| Compound ID |
CP0544966
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| Compound Name |
2-amino-N-cyclopropyl-5-[2-[(1S)-1-cyclopropylethyl]-7-cyclopropylsulfonyl-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C26H28N6O4S
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| Molecular Weight |
520.615
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)C1CC1)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1
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| InChI |
InChI=1S/C26H28N6O4S/c1-13(14-2-3-14)31-12-16-10-15(11-20(21(16)26(31)34)37(35,36)18-6-7-18)19-8-9-32-24(29-19)22(23(27)30-32)25(33)28-17-4-5-17/h8-11,13-14,17-18H,2-7,12H2,1H3,(H2,27,30)(H,28,33)/t13-/m0/s1
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| InChIKey |
NUJCKTDPKHDKIU-ZDUSSCGKSA-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