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KVN

KVN
Name:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol
Formula:	C13 H16 N4 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2nnc(n2)c3ccccc3
InChi:	InChI=1S/C13H16N4O5/c18-6-8-9(19)10(20)11(21)13(22-8)17-15-12(14-16-17)7-4-2-1-3-5-7/h1-5,8-11,13,18-21H,6H2/t8-,9-,10+,11-,13-/m1/s1
Definition date:	2019-07-01
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(5-phenyl-1,2,3,4-tetrazol-2-yl)oxane-3,4,5-triol

KVQ

KVQ
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol
Formula:	C15 H17 N O5 S
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2csc(n2)c3ccccc3
InChi:	InChI=1S/C15H17NO5S/c17-6-10-11(18)12(19)13(20)14(21-10)9-7-22-15(16-9)8-4-2-1-3-5-8/h1-5,7,10-14,17-20H,6H2/t10-,11-,12+,13-,14+/m1/s1
Definition date:	2019-07-01
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1,3-thiazol-4-yl)oxane-3,4,5-triol

KVW

KVW
Name:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol
Formula:	C15 H17 N O5 S
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2scc(n2)c3ccccc3
InChi:	InChI=1S/C15H17NO5S/c17-6-10-11(18)12(19)13(20)14(21-10)15-16-9(7-22-15)8-4-2-1-3-5-8/h1-5,7,10-14,17-20H,6H2/t10-,11-,12+,13-,14-/m1/s1
Definition date:	2019-07-01
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-phenyl-1,3-thiazol-2-yl)oxane-3,4,5-triol

DZJ

DZJ
Name:	3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one
Formula:	C17 H11 Cl N2 O2 S
SMILES:	c1(ccc2c(c1)SC=4N2C(=O)C(Cc3ccccc3)=C(O)N=4)Cl
InChi:	InChI=1S/C17H11ClN2O2S/c18-11-6-7-13-14(9-11)23-17-19-15(21)12(16(22)20(13)17)8-10-4-2-1-3-5-10/h1-7,9,21H,8H2
Definition date:	2017-11-17
Last modified:	2020-02-14
Release date:	2017-12-13
Identifier:	3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one

E1C

E1C
Name:	2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid
Formula:	C10 H16 N2 O4 S
SMILES:	CCc1n(C)c(CC)c(c1C(O)=O)[S](N)(=O)=O
InChi:	InChI=1S/C10H16N2O4S/c1-4-6-8(10(13)14)9(17(11,15)16)7(5-2)12(6)3/h4-5H2,1-3H3,(H,13,14)(H2,11,15,16)
Definition date:	2019-10-01
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	2,5-diethyl-1-methyl-4-sulfamoyl-pyrrole-3-carboxylic acid

E7F

E7F
Name:	1-[3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one
Formula:	C21 H24 O10
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc(O)c(C(=O)CCc3ccc(O)cc3)c2O
InChi:	InChI=1S/C21H24O10/c22-8-14-17(27)19(29)20(30)21(31-14)16-13(26)7-12(25)15(18(16)28)11(24)6-3-9-1-4-10(23)5-2-9/h1-2,4-5,7,14,17,19-23,25-30H,3,6,8H2/t14-,17-,19+,20-,21+/m1/s1
Definition date:	2019-11-10
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	1-[3-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-2,4,6-tris(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one

KF5

KF5
Name:	9-[(2~{S})-oxan-2-yl]purin-6-amine
Formula:	C10 H13 N5 O
SMILES:	Nc1ncnc2n(cnc12)[CH]3CCCCO3
InChi:	InChI=1S/C10H13N5O/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-16-7/h5-7H,1-4H2,(H2,11,12,13)/t7-/m0/s1
Definition date:	2019-05-17
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	9-[(2~{S})-oxan-2-yl]purin-6-amine

MJY

MJY
Name:	4-bromo-N-{(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide
Formula:	C23 H26 Br F N4 O2
SMILES:	C4N(CC(C)NC(c1ccc(cc1)Br)=O)CCC3(C(NCN3c2cccc(c2)F)=O)C4
InChi:	InChI=1S/C23H26BrFN4O2/c1-16(27-21(30)17-5-7-18(24)8-6-17)14-28-11-9-23(10-12-28)22(31)26-15-29(23)20-4-2-3-19(25)13-20/h2-8,13,16H,9-12,14-15H2,1H3,(H,26,31)(H,27,30)/t16-/m0/s1
Definition date:	2019-04-08
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	4-bromo-N-{(2S)-1-[1-(3-fluorophenyl)-4-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]propan-2-yl}benzamide

MKA

MKA
Name:	4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide
Formula:	C22 H25 F N4 O2
SMILES:	c4ccc3c(N(C2CCN(CC(C)NC(=O)c1ccc(cc1)F)CC2)C(=O)N3)c4
InChi:	InChI=1S/C22H25FN4O2/c1-15(24-21(28)16-6-8-17(23)9-7-16)14-26-12-10-18(11-13-26)27-20-5-3-2-4-19(20)25-22(27)29/h2-9,15,18H,10-14H2,1H3,(H,24,28)(H,25,29)/t15-/m0/s1
Definition date:	2019-04-08
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	4-fluoro-N-{(2S)-1-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)piperidin-1-yl]propan-2-yl}benzamide

MKG

MKG
Name:	4-fluoro-N-{(2S)-1-[(5R)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide
Formula:	C24 H27 F2 N3 O3
SMILES:	N3(CCC1(OC(=O)NCC1c2cc(ccc2)F)CC3)CC(C)NC(=O)c4ccc(cc4)F
InChi:	InChI=1S/C24H27F2N3O3/c1-16(28-22(30)17-5-7-19(25)8-6-17)15-29-11-9-24(10-12-29)21(14-27-23(31)32-24)18-3-2-4-20(26)13-18/h2-8,13,16,21H,9-12,14-15H2,1H3,(H,27,31)(H,28,30)/t16-,21-/m0/s1
Definition date:	2019-04-08
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	4-fluoro-N-{(2S)-1-[(5R)-5-(3-fluorophenyl)-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-9-yl]propan-2-yl}benzamide

MKW

MKW
Name:	1-[(7R)-16-chloro-15-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),11,13,15,17-pentaen-5-yl]prop-2-en-1-one
Formula:	C25 H24 Cl N5 O2
SMILES:	CCC(=O)N1CCN2[CH](COc3cnc4cc(c(Cl)cc4c23)c5c(C)ccc6n[nH]cc56)C1
InChi:	InChI=1S/C25H24ClN5O2/c1-3-23(32)30-6-7-31-15(12-30)13-33-22-11-27-21-9-16(19(26)8-17(21)25(22)31)24-14(2)4-5-20-18(24)10-28-29-20/h4-5,8-11,15H,3,6-7,12-13H2,1-2H3,(H,28,29)/t15-/m1/s1
Definition date:	2019-10-17
Last modified:	2020-02-14
Release date:	2020-02-19

MKZ

MKZ
Name:	1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one
Formula:	C23 H23 Cl N6 O
SMILES:	CCC(=O)N1CCN(CC1)c2ncnc3cc(c(Cl)cc23)c4c(C)ccc5[nH]ncc45
InChi:	InChI=1S/C23H23ClN6O/c1-3-21(31)29-6-8-30(9-7-29)23-16-10-18(24)15(11-20(16)25-13-26-23)22-14(2)4-5-19-17(22)12-27-28-19/h4-5,10-13H,3,6-9H2,1-2H3,(H,27,28)
Definition date:	2019-10-17
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	1-[4-[6-chloranyl-7-(5-methyl-1~{H}-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]propan-1-one

JPH

JPH
Name:	2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one
Formula:	C17 H17 N5 O3
SMILES:	CC1=CC(=O)N=C(CCn2cc(nn2)c3ccc4OCCOc4c3)N1
InChi:	InChI=1S/C17H17N5O3/c1-11-8-17(23)19-16(18-11)4-5-22-10-13(20-21-22)12-2-3-14-15(9-12)25-7-6-24-14/h2-3,8-10H,4-7H2,1H3,(H,18,19,23)
Definition date:	2019-03-14
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one

JPK

JPK
Name:	2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide
Formula:	C21 H24 N4 O3
SMILES:	Cc1cccc(CC(=O)NCc2cc(O)n3nc(cc3n2)C4CCOCC4)c1
InChi:	InChI=1S/C21H24N4O3/c1-14-3-2-4-15(9-14)10-20(26)22-13-17-11-21(27)25-19(23-17)12-18(24-25)16-5-7-28-8-6-16/h2-4,9,11-12,16,27H,5-8,10,13H2,1H3,(H,22,26)
Definition date:	2019-03-15
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide

JXB

JXB
Name:	9-(4-azidobutyl)-8-bromanyl-purin-6-amine
Formula:	C9 H11 Br N8
SMILES:	Nc1ncnc2n(CCCCN=[N+]=[N-])c(Br)nc12
InChi:	InChI=1S/C9H11BrN8/c10-9-16-6-7(11)13-5-14-8(6)18(9)4-2-1-3-15-17-12/h5H,1-4H2,(H2,11,13,14)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	9-(4-azidobutyl)-8-bromanyl-purin-6-amine

JXE

JXE
Name:	8-bromanyl-9-(4-bromanylbutyl)purin-6-amine
Formula:	C9 H11 Br2 N5
SMILES:	Nc1ncnc2n(CCCCBr)c(Br)nc12
InChi:	InChI=1S/C9H11Br2N5/c10-3-1-2-4-16-8-6(15-9(16)11)7(12)13-5-14-8/h5H,1-4H2,(H2,12,13,14)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	8-bromanyl-9-(4-bromanylbutyl)purin-6-amine

JXH

JXH
Name:	8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine
Formula:	C10 H12 Br N5 O
SMILES:	Nc1ncnc2n([CH]3CCCCO3)c(Br)nc12
InChi:	InChI=1S/C10H12BrN5O/c11-10-15-7-8(12)13-5-14-9(7)16(10)6-3-1-2-4-17-6/h5-6H,1-4H2,(H2,12,13,14)/t6-/m1/s1
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine

JXK

JXK
Name:	9-(3-azanylpropyl)-8-bromanyl-purin-6-amine
Formula:	C8 H11 Br N6
SMILES:	NCCCn1c(Br)nc2c(N)ncnc12
InChi:	InChI=1S/C8H11BrN6/c9-8-14-5-6(11)12-4-13-7(5)15(8)3-1-2-10/h4H,1-3,10H2,(H2,11,12,13)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	9-(3-azanylpropyl)-8-bromanyl-purin-6-amine

JY5

JY5
Name:	3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol
Formula:	C13 H15 N5 O2
SMILES:	Nc1ncnc2n([CH]3CCCCO3)c(nc12)C#CCO
InChi:	InChI=1S/C13H15N5O2/c14-12-11-13(16-8-15-12)18(9(17-11)4-3-6-19)10-5-1-2-7-20-10/h8,10,19H,1-2,5-7H2,(H2,14,15,16)/t10-/m1/s1
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	3-[6-azanyl-9-[(2~{R})-oxan-2-yl]purin-8-yl]prop-2-yn-1-ol

JY8

JY8
Name:	9-ethyl-8-methyl-purin-6-amine
Formula:	C8 H11 N5
SMILES:	CCn1c(C)nc2c(N)ncnc12
InChi:	InChI=1S/C8H11N5/c1-3-13-5(2)12-6-7(9)10-4-11-8(6)13/h4H,3H2,1-2H3,(H2,9,10,11)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	9-ethyl-8-methyl-purin-6-amine

JYE

JYE
Name:	9-(3-azidopropyl)-8-bromanyl-purin-6-amine
Formula:	C8 H9 Br N8
SMILES:	Nc1ncnc2n(CCCN=[N+]=[N-])c(Br)nc12
InChi:	InChI=1S/C8H9BrN8/c9-8-15-5-6(10)12-4-13-7(5)17(8)3-1-2-14-16-11/h4H,1-3H2,(H2,10,12,13)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	9-(3-azidopropyl)-8-bromanyl-purin-6-amine

JYK

JYK
Name:	9-(2-azidoethyl)-8-bromanyl-purin-6-amine
Formula:	C7 H7 Br N8
SMILES:	Nc1ncnc2n(CCN=[N+]=[N-])c(Br)nc12
InChi:	InChI=1S/C7H7BrN8/c8-7-14-4-5(9)11-3-12-6(4)16(7)2-1-13-15-10/h3H,1-2H2,(H2,9,11,12)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	9-(2-azidoethyl)-8-bromanyl-purin-6-amine

JYN

JYN
Name:	9-(4-azidobutyl)purin-6-amine
Formula:	C9 H12 N8
SMILES:	Nc1ncnc2n(CCCCN=[N+]=[N-])cnc12
InChi:	InChI=1S/C9H12N8/c10-8-7-9(13-5-12-8)17(6-14-7)4-2-1-3-15-16-11/h5-6H,1-4H2,(H2,10,12,13)
Definition date:	2019-04-11
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	9-(4-azidobutyl)purin-6-amine

H92

H92
Name:	4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide
Formula:	C18 H18 F N3 O
SMILES:	NC(=O)c1ccc(cc1)c2cc(cnc2F)[CH]3C[CH]4CC[CH]3N4
InChi:	InChI=1S/C18H18FN3O/c19-17-15(10-1-3-11(4-2-10)18(20)23)7-12(9-21-17)14-8-13-5-6-16(14)22-13/h1-4,7,9,13-14,16,22H,5-6,8H2,(H2,20,23)/t13-,14+,16+/m0/s1
Definition date:	2019-01-30
Last modified:	2020-02-14
Release date:	2020-02-19
Identifier:	4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide

HDW

HDW
Name:	(2~{S})-6-[2-(2-hydroxyethylsulfanyl)ethanoylamino]-2-[2-[2-[2-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{H}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid
Formula:	C53 H93 N11 O20 S2
SMILES:	OCCSCC(=O)NCCCC[CH](NC(=O)COCCOCCNC(=O)CC[CH](NC(=O)CC[CH](NC(=O)COCCOCCNC(=O)CCC[S](=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1)C(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C53H93N11O20S2/c65-28-35-85-39-50(72)54-25-15-14-17-40(51(73)74)58-48(70)37-83-33-32-82-30-27-56-45(67)23-21-41(52(75)76)57-46(68)24-22-42(53(77)78)59-49(71)38-84-34-31-81-29-26-55-44(66)20-16-36-86(79,80)62-47(69)19-13-11-9-7-5-3-1-2-4-6-8-10-12-18-43-60-63-64-61-43/h40-42,65H,1-39H2,(H,54,72)(H,55,66)(H,56,67)(H,57,68)(H,58,70)(H,59,71)(H,62,69)(H,73,74)(H,75,76)(H,77,78)(H,60,61,63,64)/t40-,41+,42-/m0/s1
Definition date:	2019-01-31
Last modified:	2020-02-14
Release date:	2020-02-05
Identifier:	(2~{S})-6-[2-(2-hydroxyethylsulfanyl)ethanoylamino]-2-[2-[2-[2-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{H}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid

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