General Information of the Compound
| Compound ID |
CP0000805
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| Compound Name |
3-amino-N-[(1S)-1-(8-chloro-1-oxo-2-phenylisoquinolin-3-yl)ethyl]isoquinoline-4-carboxamide
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| Structure |
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| Formula |
C27H21ClN4O2
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| Molecular Weight |
468.944
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| Canonical SMILES |
C[C@H](NC(=O)c1c(N)ncc2ccccc12)c1cc2cccc(Cl)c2c(=O)n1-c1ccccc1
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| InChI |
InChI=1S/C27H21ClN4O2/c1-16(31-26(33)24-20-12-6-5-8-18(20)15-30-25(24)29)22-14-17-9-7-13-21(28)23(17)27(34)32(22)19-10-3-2-4-11-19/h2-16H,1H3,(H2,29,30)(H,31,33)/t16-/m0/s1
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| InChIKey |
JUHFRROHHCYSJN-INIZCTEOSA-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