General Information of the Compound
| Compound ID |
CP0051690
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| Compound Name |
(2S)-N-[4-[3-cyano-1-[2-(methylamino)-2-oxoethyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C23H23N5O3
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| Molecular Weight |
417.469
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| Canonical SMILES |
CNC(=O)Cn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc12
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| InChI |
InChI=1S/C23H23N5O3/c1-25-22(29)14-28-13-15(12-24)19-11-18(8-9-21(19)28)31-17-6-4-16(5-7-17)27-23(30)20-3-2-10-26-20/h4-9,11,13,20,26H,2-3,10,14H2,1H3,(H,25,29)(H,27,30)/t20-/m0/s1
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| InChIKey |
AZGKYEZKYHOKCB-FQEVSTJZSA-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