General Information of the Compound
| Compound ID |
CP0911821
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| Compound Name |
[4-((R)-2-Amino-3-phenyl-propylamino)-2-pyridin-4-yl-5,8-dihydro-6H-pyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7-yl]-phenyl-methanone
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| Structure |
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| Formula |
C30H28N6OS
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| Molecular Weight |
520.662
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| Canonical SMILES |
N[C@@H](CNc1nc(-c2ccncc2)nc2sc3c(c12)CCN(C(=O)c1ccccc1)C3)Cc1ccccc1
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| InChI |
InChI=1S/C30H28N6OS/c31-23(17-20-7-3-1-4-8-20)18-33-28-26-24-13-16-36(30(37)22-9-5-2-6-10-22)19-25(24)38-29(26)35-27(34-28)21-11-14-32-15-12-21/h1-12,14-15,23H,13,16-19,31H2,(H,33,34,35)/t23-/m1/s1
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| InChIKey |
QOYLLSGEGBFNGZ-HSZRJFAPSA-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