General Information of the Compound
| Compound ID |
CP0405676
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| Compound Name |
N-[1-(thiophen-3-ylmethyl)piperidin-3-yl]-1H-indazol-5-amine
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| Structure |
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| Formula |
C17H20N4S
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| Molecular Weight |
312.442
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| Canonical SMILES |
C(N1CCCC(C1)Nc1ccc2[nH]ncc2c1)c1ccsc1
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| InChI |
InChI=1S/C17H20N4S/c1-2-16(11-21(6-1)10-13-5-7-22-12-13)19-15-3-4-17-14(8-15)9-18-20-17/h3-5,7-9,12,16,19H,1-2,6,10-11H2,(H,18,20)
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| InChIKey |
MBEYXNMHPBPYSU-UHFFFAOYSA-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