General Information of the Compound
| Compound ID |
CP0544964
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| Compound Name |
2-amino-N-cyclopropyl-5-[7-cyclopropyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C26H28N6O2
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| Molecular Weight |
456.55
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(C3CC3)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1
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| InChI |
InChI=1S/C26H28N6O2/c1-13(14-2-3-14)31-12-17-10-16(11-19(15-4-5-15)21(17)26(31)34)20-8-9-32-24(29-20)22(23(27)30-32)25(33)28-18-6-7-18/h8-11,13-15,18H,2-7,12H2,1H3,(H2,27,30)(H,28,33)/t13-/m0/s1
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| InChIKey |
SMYKBETUHPQRLG-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