Ff-10101
(E)-N-[(2S)-1-[5-[2-(4-cyanoanilino)-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide
Molecular Identity
Ff-10101
(E)-N-[(2S)-1-[5-[2-(4-cyanoanilino)-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamide
PubChem CID: 90052320
2D Structure
Properties
C29H38N8O2
Molecular Formula
530.70
Molecular Weight
g/mol
530.3118
Exact Mass
Da
3.6
XLogP
Drug-like (Lipinski: < 5)
126
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
8
H-Bond Acceptors
906
Complexity
SMILES
Canonical SMILES
SMILES: CCCNC1=NC(=NC=C1C#CCCCNC(=O)C(C)N(C)C(=O)C=CCN(C)C)NC2=CC=C(C=C2)C#NIsomeric SMILES
SMILES: CCCNC1=NC(=NC=C1C#CCCCNC(=O)[C@H](C)N(C)C(=O)/C=C/CN(C)C)NC2=CC=C(C=C2)C#NSynonyms(20)
FF-101011472797-69-5FLT3-IN-1(S,E)-N-(1-((5-(2-((4-Cyanophenyl)amino)-4-(propylamino)pyrimidin-5-yl)pent-4-yn-1-yl)amino)-1-oxopropan-2-yl)-4-(dimethylamino)-N-methylbut-2-enamide7V7IHI0SYG2-Butenamide, N-((1S)-2-((5-(2-((4-cyanophenyl)amino)-4-(propylamino)-5-pyrimidinyl)-4-pentyn-1-yl)amino)-1-methyl-2-oxoethyl)-4-(dimethylamino)-N-methyl-, (2E)-RefChem:140362UNII-7V7IHI0SYGMFCD31630735HY-109584(E)-N-[(2S)-1-[5-[2-(4-cyanoanilino)-4-(propylamino)pyrimidin-5-yl]pent-4-ynylamino]-1-oxopropan-2-yl]-4-(dimethylamino)-N-methylbut-2-enamideSCHEMBL16443760Ff-10101-01orb1218782orb1309670
Data from PubChem (NCBI)
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Drug Network
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