Compound ID	CP0129619
Compound Name	CHEMBL2203406     Show/Hide
Formula	C27H34N4O2S
Molecular Weight	478.662
Canonical SMILES	CCCN(CC[C@]1(O)C[C@@H](C1)NC(=O)c1ccc2ccccc2c1)[C@H]1CCc2nc(N)sc2C1     Show/Hide
InChI	InChI=1S/C27H34N4O2S/c1-2-12-31(22-9-10-23-24(15-22)34-26(28)30-23)13-11-27(33)16-21(17-27)29-25(32)20-8-7-18-5-3-4-6-19(18)14-20/h3-8,14,21-22,33H,2,9-13,15-17H2,1H3,(H2,28,30)(H,29,32)/t21-,22-,27-/m0/s1     Show/Hide
InChIKey	QXYZJXCNTMMWEO-BERHBOFZSA-N
Physicochemical Property	logP 4.1614 Rotatable Bonds 8 Heavy Atom Count 34 Polar Areas 91.48 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6 Complexity 34 "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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PubChem ID	SID: 126520220
ChEMBL ID	CHEMBL2203406

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