General Information of the Compound
| Compound ID |
CP0867707
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| Compound Name |
(9-Chloro-2-pyridin-4-yl-benzo[4,5]thieno[3,2-d]pyrimidin-4-yl)-(R)-pyrrolidin-3-yl-amine
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| Structure |
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| Formula |
C19H16ClN5S
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| Molecular Weight |
381.892
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| Canonical SMILES |
Clc1cccc2sc3c(N[C@@H]4CCNC4)nc(-c4ccncc4)nc3c12
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| InChI |
InChI=1S/C19H16ClN5S/c20-13-2-1-3-14-15(13)16-17(26-14)19(23-12-6-9-22-10-12)25-18(24-16)11-4-7-21-8-5-11/h1-5,7-8,12,22H,6,9-10H2,(H,23,24,25)/t12-/m1/s1
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| InChIKey |
ZWJNBTCOKDPBJG-GFCCVEGCSA-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