General Information of the Compound
| Compound ID |
CP0372501
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| Compound Name |
3,3-difluoro-N-(2-(6-oxo-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]isoquinolin-1-yl)ethyl)-1,4-diazepane-1-carboxamide
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| Structure |
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| Formula |
C19H23F2N5O2
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| Molecular Weight |
391.422
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| Canonical SMILES |
FC1(F)CN(CCCN1)C(=O)NCCc1c[nH]c2ccc3C(=O)NCCc3c12
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| InChI |
InChI=1S/C19H23F2N5O2/c20-19(21)11-26(9-1-6-25-19)18(28)23-7-4-12-10-24-15-3-2-14-13(16(12)15)5-8-22-17(14)27/h2-3,10,24-25H,1,4-9,11H2,(H,22,27)(H,23,28)
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| InChIKey |
ISKNTZZOIHSDKZ-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