58640

Source:http://linkedlifedata.com/resource/chembl/compound/58640

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C30H40N2O6S/c1-17(7-10-27(36)32-19-5-4-6-21(15-19)39(31,37)38)22-8-9-23-28-24(16-26(35)30(22,23)3)29(2)12-11-20(33)13-18(29)14-25(28)34/h4-6,15,17-18,22-24,28H,7-14,16H2,1-3H3,(H,32,36)(H2,31,37,38)/t17-,18+,22-,23+,24+,28?,29+,30-/m1/s1
chemicalCompound:standardIn...	SCAMKCGOYUREEE-SZAAUDCBSA-N
chemicalCompound:canonicalS...	C[C@H](CCC(=O)Nc1cccc(c1)S(=O)(=O)N)[C@H]2CC[C@H]3C4[C@H](CC(=O)[C@]23C)[C@@]5(C)CCC(=O)C[C@H]5CC4=O
chemicalCompound:molecularF...	C30 H40 N2 O6 S
chemicalCompound:moleculeId	58640
chemicalCompound:mwFreebase	556.713
chemicalCompound:alogp	2.644
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	148.85
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.06
chemicalCompound:acdLogP	2
chemicalCompound:acdLogD	1.999
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	556.713
chemicalCompound:chemblId	CHEMBL288115
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:158640
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:880471, activity:880472, activity:880473