General Information of the Compound
| Compound ID |
CP0532221
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| Compound Name |
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-4-methylbenzamide
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| Formula |
C32H35N5O4
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| Molecular Weight |
553.663
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| Canonical SMILES |
COc1ccc(cc1)-c1ccnc(Nc2cc(ccc2C)C(=O)NCCN2CCc3cc(OC)c(OC)cc3C2)n1
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| InChI |
InChI=1S/C32H35N5O4/c1-21-5-6-24(17-28(21)36-32-34-13-11-27(35-32)22-7-9-26(39-2)10-8-22)31(38)33-14-16-37-15-12-23-18-29(40-3)30(41-4)19-25(23)20-37/h5-11,13,17-19H,12,14-16,20H2,1-4H3,(H,33,38)(H,34,35,36)
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| InChIKey |
CZKSLSZKOFYLMN-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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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