General Information of the Compound
| Compound ID |
CP0539350
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| Compound Name |
1-methyl-N-[2-[[[6-phenyl-2-(propan-2-ylamino)thieno[3,2-d]pyrimidin-4-yl]amino]methyl]phenyl]piperidine-3-carboxamide
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| Structure |
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| Formula |
C29H34N6OS
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| Molecular Weight |
514.699
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| Canonical SMILES |
CC(C)Nc1nc(NCc2ccccc2NC(=O)C2CCCN(C)C2)c2sc(cc2n1)-c1ccccc1
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| InChI |
InChI=1S/C29H34N6OS/c1-19(2)31-29-33-24-16-25(20-10-5-4-6-11-20)37-26(24)27(34-29)30-17-21-12-7-8-14-23(21)32-28(36)22-13-9-15-35(3)18-22/h4-8,10-12,14,16,19,22H,9,13,15,17-18H2,1-3H3,(H,32,36)(H2,30,31,33,34)
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| InChIKey |
IRSRFSJPTXDZGH-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