General Information of the Compound
| Compound ID |
CP0904486
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| Compound Name |
(S)-N'1-[7-(3-Amino-phenyl)-6-tert-butyl-2-pyridin-4-yl-thieno[3,2-d]pyrimidin-4-yl]-3-phenyl-propane-1,2-diamine
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| Structure |
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| Formula |
C30H32N6S
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| Molecular Weight |
508.695
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| Canonical SMILES |
CC(C)(C)c1sc2c(NC[C@@H](N)Cc3ccccc3)nc(-c3ccncc3)nc2c1-c1cccc(N)c1
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| InChI |
InChI=1S/C30H32N6S/c1-30(2,3)27-24(21-10-7-11-22(31)17-21)25-26(37-27)29(36-28(35-25)20-12-14-33-15-13-20)34-18-23(32)16-19-8-5-4-6-9-19/h4-15,17,23H,16,18,31-32H2,1-3H3,(H,34,35,36)/t23-/m0/s1
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| InChIKey |
DDPUQQFPJLJBRO-QHCPKHFHSA-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