General Information of the Compound
| Compound ID |
CP0947487
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| Compound Name |
(S)-N'1-[2-(1H-Pyrazol-4-yl)-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl]-propane-1,2-diamine
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| Structure |
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| Formula |
C16H20N6S
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| Molecular Weight |
328.445
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| Canonical SMILES |
C[C@H](N)CNc1nc(-c2cn[nH]c2)nc2sc3c(c12)CCCC3
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| InChI |
InChI=1S/C16H20N6S/c1-9(17)6-18-15-13-11-4-2-3-5-12(11)23-16(13)22-14(21-15)10-7-19-20-8-10/h7-9H,2-6,17H2,1H3,(H,19,20)(H,18,21,22)/t9-/m0/s1
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| InChIKey |
YVAXVDIHYUAZRP-VIFPVBQESA-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