General Information of the Compound
| Compound ID |
CP0567595
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| Compound Name |
4-[[7'-[(1R,2R)-2-methylcyclopentyl]-6'-oxospiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-2'-yl]amino]-N-[(3R)-1-methylpiperidin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C26H34N6O3S
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| Molecular Weight |
510.664
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| Canonical SMILES |
C[C@@H]1CCC[C@H]1N1C(=O)C2(CC2)c2cnc(Nc3ccc(cc3)S(=O)(=O)N[C@@H]3CCCN(C)C3)nc12
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| InChI |
InChI=1S/C26H34N6O3S/c1-17-5-3-7-22(17)32-23-21(26(12-13-26)24(32)33)15-27-25(29-23)28-18-8-10-20(11-9-18)36(34,35)30-19-6-4-14-31(2)16-19/h8-11,15,17,19,22,30H,3-7,12-14,16H2,1-2H3,(H,27,28,29)/t17-,19-,22-/m1/s1
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| InChIKey |
DPPNUGHHPDHVMX-SFGWALBWSA-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