General Information of the Compound
| Compound ID |
CP0573038
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| Compound Name |
(2R)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[6-(4-ethylpiperazin-1-yl)pyridin-3-yl]-2,4-dimethyl-2-(morpholin-4-ylmethyl)-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C34H44N6O5
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| Molecular Weight |
616.763
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc(cn1)-c1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)c2O[C@@](C)(CN3CCOCC3)Oc12
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| InChI |
InChI=1S/C34H44N6O5/c1-6-38-9-11-40(12-10-38)29-8-7-25(19-35-29)27-18-26(32(41)36-20-28-22(2)17-23(3)37-33(28)42)24(4)30-31(27)45-34(5,44-30)21-39-13-15-43-16-14-39/h7-8,17-19H,6,9-16,20-21H2,1-5H3,(H,36,41)(H,37,42)/t34-/m1/s1
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| InChIKey |
OMRNALVBPNPCDM-UUWRZZSWSA-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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