General Information of the Compound
| Compound ID |
CP0498888
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| Compound Name |
(R)-(4-benzyl-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 |
C32H29N5O3
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| Molecular Weight |
531.616
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| Canonical SMILES |
O=C(OC[C@H]1CN(Cc2ccccc2)c2cn(CCc3ccccc3)nc2C(=O)N1)c1cccc2cnccc12
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| InChI |
InChI=1S/C32H29N5O3/c38-31-30-29(21-37(35-30)17-15-23-8-3-1-4-9-23)36(19-24-10-5-2-6-11-24)20-26(34-31)22-40-32(39)28-13-7-12-25-18-33-16-14-27(25)28/h1-14,16,18,21,26H,15,17,19-20,22H2,(H,34,38)/t26-/m1/s1
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| InChIKey |
VBWJHLOPZMUCFL-AREMUKBSSA-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