General Information of the Compound
| Compound ID |
CP0262091
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| Compound Name |
2-(2,6-diethylphenyl)-7-[2-[2-methoxy-4-[4-(6-methyl-2,6-diazaspiro[3.3]heptane-2-carbonyl)piperidin-1-yl]anilino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
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| Structure |
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| Formula |
C42H49N9O3
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| Molecular Weight |
727.914
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| Canonical SMILES |
CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12
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| InChI |
InChI=1S/C42H49N9O3/c1-5-27-8-7-9-28(6-2)37(27)51-19-18-49-22-30(20-34(49)40(51)53)36-32-12-15-43-38(32)46-41(45-36)44-33-11-10-31(21-35(33)54-4)48-16-13-29(14-17-48)39(52)50-25-42(26-50)23-47(3)24-42/h7-12,15,20-22,29H,5-6,13-14,16-19,23-26H2,1-4H3,(H2,43,44,45,46)
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| InChIKey |
BNSPEWBMGVWZFC-UHFFFAOYSA-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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