General Information of the Compound
| Compound ID |
CP0397171
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| Compound Name |
(R)-(8-oxo-2-phenethyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-e][1,4]diazepin-6-yl)methyl isoquinoline-5-carboxylate
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| Structure |
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| Formula |
C25H23N5O3
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| Molecular Weight |
441.491
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| Canonical SMILES |
O=C(OC[C@H]1CNc2cn(CCc3ccccc3)nc2C(=O)N1)c1cccc2cnccc12
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| InChI |
InChI=1S/C25H23N5O3/c31-24-23-22(15-30(29-23)12-10-17-5-2-1-3-6-17)27-14-19(28-24)16-33-25(32)21-8-4-7-18-13-26-11-9-20(18)21/h1-9,11,13,15,19,27H,10,12,14,16H2,(H,28,31)/t19-/m1/s1
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| InChIKey |
GNQLTIMVDQALEW-LJQANCHMSA-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