General Information of the Compound
| Compound ID |
CP0405447
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| Compound Name |
4'-(6-{[(5-methyl-pyrazin-2-ylmethyl)-amino]-methyl}-1,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-biphenyl-4-ol
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| Structure |
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| Formula |
C29H25N5O
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| Molecular Weight |
459.553
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| Canonical SMILES |
Cc1cnc(CNCc2ccc-3c(Cc4c(n[nH]c-34)-c3ccc(cc3)-c3ccc(O)cc3)c2)cn1
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| InChI |
InChI=1S/C29H25N5O/c1-18-14-32-24(17-31-18)16-30-15-19-2-11-26-23(12-19)13-27-28(33-34-29(26)27)22-5-3-20(4-6-22)21-7-9-25(35)10-8-21/h2-12,14,17,30,35H,13,15-16H2,1H3,(H,33,34)
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| InChIKey |
WZEQQBUDSLBCJT-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