General Information of the Compound
| Compound ID |
CP0544967
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| Compound Name |
2-amino-5-[7-cyclobutylsulfonyl-2-[(1S)-1-cyclopropylethyl]-1-oxo-3H-isoindol-5-yl]-N-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C27H30N6O4S
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| Molecular Weight |
534.642
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(c2C1=O)S(=O)(=O)C1CCC1)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1
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| InChI |
InChI=1S/C27H30N6O4S/c1-14(15-5-6-15)32-13-17-11-16(12-21(22(17)27(32)35)38(36,37)19-3-2-4-19)20-9-10-33-25(30-20)23(24(28)31-33)26(34)29-18-7-8-18/h9-12,14-15,18-19H,2-8,13H2,1H3,(H2,28,31)(H,29,34)/t14-/m0/s1
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| InChIKey |
JCVPRCJMVAWOBT-AWEZNQCLSA-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