General Information of the Compound
| Compound ID |
CP0918231
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| Compound Name |
(S)-N'1-[2-(3,5-Dimethyl-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 |
C18H24N6S
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| Molecular Weight |
356.499
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| Canonical SMILES |
Cc1n[nH]c(C)c1-c1nc(NC[C@H](C)N)c2c3c(sc2n1)CCCC3
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| InChI |
InChI=1S/C18H24N6S/c1-9(19)8-20-16-15-12-6-4-5-7-13(12)25-18(15)22-17(21-16)14-10(2)23-24-11(14)3/h9H,4-8,19H2,1-3H3,(H,23,24)(H,20,21,22)/t9-/m0/s1
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| InChIKey |
YJWQCLCDKGEBKY-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