General Information of the Compound
| Compound ID |
CP0485877
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| Compound Name |
2-[6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
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| Structure |
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| Formula |
C19H20N6O
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| Molecular Weight |
348.41
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| Canonical SMILES |
Oc1cc(ccc1-c1ccc(nn1)N1C[C@@H]2CNC[C@@H]2C1)-c1cn[nH]c1
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| InChI |
InChI=1S/C19H20N6O/c26-18-5-12(13-8-21-22-9-13)1-2-16(18)17-3-4-19(24-23-17)25-10-14-6-20-7-15(14)11-25/h1-5,8-9,14-15,20,26H,6-7,10-11H2,(H,21,22)/t14-,15+
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| InChIKey |
CCBCVDSDUWLFSE-GASCZTMLSA-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