General Information of the Compound
| Compound ID |
CP0322325
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| Compound Name |
N-[(1S,2R)-2-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]cyclopentyl]prop-2-enamide
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| Formula |
C24H25Cl2N5O4
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| Molecular Weight |
518.401
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| Canonical SMILES |
COc1cc(OC)c(Cl)c(c1Cl)-c1cc2cnc(N[C@@H]3CCC[C@@H]3NC(=O)C=C)nc2n(C)c1=O
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| InChI |
InChI=1S/C24H25Cl2N5O4/c1-5-18(32)28-14-7-6-8-15(14)29-24-27-11-12-9-13(23(33)31(2)22(12)30-24)19-20(25)16(34-3)10-17(35-4)21(19)26/h5,9-11,14-15H,1,6-8H2,2-4H3,(H,28,32)(H,27,29,30)/t14-,15+/m0/s1
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| InChIKey |
PJEPTYCBAHFMAA-LSDHHAIUSA-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