General Information of the Compound
| Compound ID |
CP0510897
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| Compound Name |
4'-{6-[(trans-4-hydroxy-cyclohexylamino)-methyl]-1,4-dihydro-indeno[1,2-c]pyrazol-3-yl}-biphenyl-4-ol
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| Formula |
C29H29N3O2
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| Molecular Weight |
451.57
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| Canonical SMILES |
O[C@H]1CC[C@@H](CC1)NCc1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)-c2ccc(O)cc2)c1
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| InChI |
InChI=1S/C29H29N3O2/c33-24-10-6-20(7-11-24)19-2-4-21(5-3-19)28-27-16-22-15-18(1-14-26(22)29(27)32-31-28)17-30-23-8-12-25(34)13-9-23/h1-7,10-11,14-15,23,25,30,33-34H,8-9,12-13,16-17H2,(H,31,32)/t23-,25-
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| InChIKey |
OWEWWKZBRPUVAP-ALOJWSFFSA-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