General Information of the Compound
| Compound ID |
CP0964632
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| Compound Name |
3-(cyclohex-1-en-1-yl)-6-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-(hydroxymethyl)-2-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
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| Formula |
C27H25N3O4
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| Molecular Weight |
455.514
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| Canonical SMILES |
O=c1c(-c2ccc3c(c2)OCCO3)c(CO)[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn12
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| InChI |
InChI=1S/C27H25N3O4/c31-16-20-23(19-11-12-21-22(15-19)34-14-13-33-21)27(32)30-26(28-20)24(17-7-3-1-4-8-17)25(29-30)18-9-5-2-6-10-18/h2,5-7,9-12,15,28,31H,1,3-4,8,13-14,16H2
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| InChIKey |
YDMZCGJXNWGVBH-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