General Information of the Compound
| Compound ID |
CP0537109
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| Compound Name |
N-[1-[5-[2-[(dimethylamino)methyl]phenyl]thiophen-2-yl]ethyl]-2-methyl-6-[4-(pyridin-3-ylmethyl)piperazin-1-yl]pyrido[3,4-d]pyrimidin-4-amine
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| Structure |
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| Formula |
C33H38N8S
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| Molecular Weight |
578.79
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| Canonical SMILES |
CC(Nc1nc(C)nc2cnc(cc12)N1CCN(Cc2cccnc2)CC1)c1ccc(s1)-c1ccccc1CN(C)C
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| InChI |
InChI=1S/C33H38N8S/c1-23(30-11-12-31(42-30)27-10-6-5-9-26(27)22-39(3)4)36-33-28-18-32(35-20-29(28)37-24(2)38-33)41-16-14-40(15-17-41)21-25-8-7-13-34-19-25/h5-13,18-20,23H,14-17,21-22H2,1-4H3,(H,36,37,38)
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| InChIKey |
FMINKASOYJNCMS-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