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A1AME

A1AME
Name:	4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Formula:	C22 H27 N5 O3 S
SMILES:	CCNC(=O)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C
InChi:	InChI=1S/C22H27N5O3S/c1-4-23-22(28)17-11-16-20(26-17)24-12-25-21(16)27-19(13(2)3)15-8-7-14-6-5-9-31(29,30)18(14)10-15/h7-8,10-13,19H,4-6,9H2,1-3H3,(H,23,28)(H2,24,25,26,27)/t19-/m0/s1
Definition date:	2024-04-11
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

A1AMF

A1AMF
Name:	4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
Formula:	C21 H25 N5 O3 S
SMILES:	CNC(=O)c1c[NH]c2ncnc(NC(c3ccc4CCCS(=O)(=O)c4c3)C(C)C)c12
InChi:	InChI=1S/C21H25N5O3S/c1-12(2)18(14-7-6-13-5-4-8-30(28,29)16(13)9-14)26-20-17-15(21(27)22-3)10-23-19(17)24-11-25-20/h6-7,9-12,18H,4-5,8H2,1-3H3,(H,22,27)(H2,23,24,25,26)/t18-/m0/s1
Definition date:	2024-04-11
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide

A1AMQ

A1AMQ
Name:	4-{[(S)-cyclopropyl(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)methyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Formula:	C22 H25 N5 O3 S
SMILES:	CCNC(=O)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C1CC1
InChi:	InChI=1S/C22H25N5O3S/c1-2-23-22(28)17-11-16-20(26-17)24-12-25-21(16)27-19(14-6-7-14)15-8-5-13-4-3-9-31(29,30)18(13)10-15/h5,8,10-12,14,19H,2-4,6-7,9H2,1H3,(H,23,28)(H2,24,25,26,27)/t19-/m0/s1
Definition date:	2024-04-15
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	4-{[(S)-cyclopropyl(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)methyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

A1AMR

A1AMR
Name:	2-[(4P)-4-(4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]acetamide
Formula:	C24 H27 N7 O3 S
SMILES:	NC(=O)Cn1cc(cn1)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C
InChi:	InChI=1S/C24H27N7O3S/c1-14(2)22(16-6-5-15-4-3-7-35(33,34)20(15)8-16)30-24-18-9-19(29-23(18)26-13-27-24)17-10-28-31(11-17)12-21(25)32/h5-6,8-11,13-14,22H,3-4,7,12H2,1-2H3,(H2,25,32)(H2,26,27,29,30)
Definition date:	2024-04-15
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	2-[(4P)-4-(4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazol-1-yl]acetamide

A1AMV

A1AMV
Name:	4-{[(1S)-1-(2-aminopyridin-4-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Formula:	C18 H23 N7 O
SMILES:	Nc1nccc(c1)C(Nc1ncnc2[NH]c(cc21)C(=O)NCC)C(C)C
InChi:	InChI=1S/C18H23N7O/c1-4-20-18(26)13-8-12-16(24-13)22-9-23-17(12)25-15(10(2)3)11-5-6-21-14(19)7-11/h5-10,15H,4H2,1-3H3,(H2,19,21)(H,20,26)(H2,22,23,24,25)/t15-/m0/s1
Definition date:	2024-04-15
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	4-{[(1S)-1-(2-aminopyridin-4-yl)-2-methylpropyl]amino}-N-ethyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

A1ANQ

A1ANQ
Name:	(4M)-1-methyl-4-(4-{[(1S)-2-methyl-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile
Formula:	C23 H22 N8 O2
SMILES:	N#Cc1n(C)ncc1c1cc2c([NH]1)ncnc2NC(c1ccc2OCC(=O)Nc2c1)C(C)C
InChi:	InChI=1S/C23H22N8O2/c1-12(2)21(13-4-5-19-17(6-13)28-20(32)10-33-19)30-23-14-7-16(29-22(14)25-11-26-23)15-9-27-31(3)18(15)8-24/h4-7,9,11-12,21H,10H2,1-3H3,(H,28,32)(H2,25,26,29,30)/t21-/m0/s1
Definition date:	2024-04-16
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	(4M)-1-methyl-4-(4-{[(1S)-2-methyl-1-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1H-pyrazole-5-carbonitrile

A1ANR

A1ANR
Name:	4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-(1-methylazetidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Formula:	C24 H30 N6 O3 S
SMILES:	CN1CC(C1)NC(=O)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C
InChi:	InChI=1S/C24H30N6O3S/c1-14(2)21(16-7-6-15-5-4-8-34(32,33)20(15)9-16)29-23-18-10-19(28-22(18)25-13-26-23)24(31)27-17-11-30(3)12-17/h6-7,9-10,13-14,17,21H,4-5,8,11-12H2,1-3H3,(H,27,31)(H2,25,26,28,29)/t21-/m0/s1
Definition date:	2024-04-16
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	4-{[(1S)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-(1-methylazetidin-3-yl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

A1ANU

A1ANU
Name:	7-[(1R)-1-{[(6M)-6-(3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
Formula:	C29 H31 N5 O3 S
SMILES:	O=C1Nc2ccc(cc2C1(C)C)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C
InChi:	InChI=1S/C29H31N5O3S/c1-16(2)25(19-8-7-17-6-5-11-38(36,37)24(17)13-19)34-27-20-14-23(32-26(20)30-15-31-27)18-9-10-22-21(12-18)29(3,4)28(35)33-22/h7-10,12-16,25H,5-6,11H2,1-4H3,(H,33,35)(H2,30,31,32,34)/t25-/m1/s1
Definition date:	2024-04-17
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	7-[(1R)-1-{[(6M)-6-(3,3-dimethyl-2-oxo-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione

A1ANV

A1ANV
Name:	7-[(1R)-1-{[6-(methanesulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
Formula:	C20 H24 N4 O4 S2
SMILES:	CS(=O)(=O)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C
InChi:	InChI=1S/C20H24N4O4S2/c1-12(2)18(14-7-6-13-5-4-8-30(27,28)16(13)9-14)24-20-15-10-17(29(3,25)26)23-19(15)21-11-22-20/h6-7,9-12,18H,4-5,8H2,1-3H3,(H2,21,22,23,24)/t18-/m1/s1
Definition date:	2024-04-17
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	7-[(1R)-1-{[6-(methanesulfonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione

A1ANY

A1ANY
Name:	7-[(1R)-2-methyl-1-{[(6M)-6-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
Formula:	C25 H27 N5 O3 S
SMILES:	O=C1C=CC(=CN1C)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C
InChi:	InChI=1S/C25H27N5O3S/c1-15(2)23(17-7-6-16-5-4-10-34(32,33)21(16)11-17)29-25-19-12-20(28-24(19)26-14-27-25)18-8-9-22(31)30(3)13-18/h6-9,11-15,23H,4-5,10H2,1-3H3,(H2,26,27,28,29)/t23-/m1/s1
Definition date:	2024-04-18
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	7-[(1R)-2-methyl-1-{[(6M)-6-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}propyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione

A1ANZ

A1ANZ
Name:	7-[(1R)-1-{[(6M)-6-{2-[2-(dimethylamino)ethoxy]pyridin-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
Formula:	C28 H34 N6 O3 S
SMILES:	CN(C)CCOc1nccc(c1)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C
InChi:	InChI=1S/C28H34N6O3S/c1-18(2)26(21-8-7-19-6-5-13-38(35,36)24(19)14-21)33-28-22-16-23(32-27(22)30-17-31-28)20-9-10-29-25(15-20)37-12-11-34(3)4/h7-10,14-18,26H,5-6,11-13H2,1-4H3,(H2,30,31,32,33)/t26-/m1/s1
Definition date:	2024-04-18
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	7-[(1R)-1-{[(6M)-6-{2-[2-(dimethylamino)ethoxy]pyridin-4-yl}-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione

A1AOA

A1AOA
Name:	7-[(1S)-1-{[(5R,8S)-10-acetyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
Formula:	C24 H30 N4 O3 S
SMILES:	CC(=O)N1C2CCC1Cc1ncnc(NC(c3ccc4CCCS(=O)(=O)c4c3)C(C)C)c21
InChi:	InChI=1S/C24H30N4O3S/c1-14(2)23(17-7-6-16-5-4-10-32(30,31)21(16)11-17)27-24-22-19(25-13-26-24)12-18-8-9-20(22)28(18)15(3)29/h6-7,11,13-14,18,20,23H,4-5,8-10,12H2,1-3H3,(H,25,26,27)/t18-,20+,23-/m0/s1
Definition date:	2024-04-18
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	7-[(1S)-1-{[(5R,8S)-10-acetyl-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[d]pyrimidin-4-yl]amino}-2-methylpropyl]-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione

A1AOB

A1AOB
Name:	4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-[(3R)-1-methylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide
Formula:	C25 H32 N6 O3 S
SMILES:	CN1CCC(C1)NC(=O)c1cc2c([NH]1)ncnc2NC(c1ccc2CCCS(=O)(=O)c2c1)C(C)C
InChi:	InChI=1S/C25H32N6O3S/c1-15(2)22(17-7-6-16-5-4-10-35(33,34)21(16)11-17)30-24-19-12-20(29-23(19)26-14-27-24)25(32)28-18-8-9-31(3)13-18/h6-7,11-12,14-15,18,22H,4-5,8-10,13H2,1-3H3,(H,28,32)(H2,26,27,29,30)/t18-,22-/m1/s1
Definition date:	2024-04-18
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	4-{[(1R)-1-(1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~-benzothiopyran-7-yl)-2-methylpropyl]amino}-N-[(3R)-1-methylpyrrolidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide

A1AQV

A1AQV
Name:	chlordecone
Formula:	C10 H2 Cl10 O2
SMILES:	ClC12C3(Cl)C4(Cl)C5(Cl)C3(Cl)C(O)(O)C1(Cl)C5(Cl)C2(Cl)C4(Cl)Cl
InChi:	InChI=1S/C10H2Cl10O2/c11-1-2(12)6(16)4(14)3(13,5(1,15)9(6,19)20)7(1,17)10(21,22)8(2,4)18/h21-22H/t1-,2+,3+,4-,5+,6-,7-,8+
Synonyms:	(1R,1as,3s,3aR,4r,5ar,5bS,6S)-1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalene-2,2-diol
Definition date:	2024-05-06
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	(1R,1as,3s,3aR,4r,5ar,5bS,6S)-1,1a,3,3a,4,5,5,5a,5b,6-decachlorooctahydro-2H-1,3,4-(methanetriyl)cyclobuta[cd]pentalene-2,2-diol

RYF

RYF
Name:	~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:	C11 H8 I N5
SMILES:	Ic1ccc(Nc2ncnc3[nH]ncc23)cc1
InChi:	InChI=1S/C11H8IN5/c12-7-1-3-8(4-2-7)16-10-9-5-15-17-11(9)14-6-13-10/h1-6H,(H2,13,14,15,16,17)
Definition date:	2022-12-09
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine

YFW

YFW
Name:	2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine
Formula:	C13 H18 N2 O
SMILES:	CN(C)CCc1c[NH]c2ccc(cc21)OC
InChi:	InChI=1S/C13H18N2O/c1-15(2)7-6-10-9-14-13-5-4-11(16-3)8-12(10)13/h4-5,8-9,14H,6-7H2,1-3H3
Definition date:	2023-01-27
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	2-(5-methoxy-1H-indol-3-yl)-N,N-dimethylethan-1-amine

YGH

YGH
Name:	4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole
Formula:	C15 H19 F N2 O
SMILES:	COc1ccc2[NH]cc(CCN3CCCC3)c2c1F
InChi:	InChI=1S/C15H19FN2O/c1-19-13-5-4-12-14(15(13)16)11(10-17-12)6-9-18-7-2-3-8-18/h4-5,10,17H,2-3,6-9H2,1H3
Definition date:	2023-01-28
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	4-fluoro-5-methoxy-3-[2-(pyrrolidin-1-yl)ethyl]-1H-indole

USR

USR
Name:	methyl 3-O-[3,5-dideoxy-5-(2-hydroxyacetamido)-L-glycero-alpha-D-gulo-non-2-ulopyranonosyl]-beta-D-talopyranoside
Formula:	C18 H31 N O15
SMILES:	OCC(O)C(O)C1OC(OC2C(O)C(OC)OC(CO)C2O)(CC(O)C1NC(=O)CO)C(=O)O
InChi:	InChI=1S/C18H31NO15/c1-31-16-13(28)15(12(27)8(4-21)32-16)34-18(17(29)30)2-6(23)10(19-9(25)5-22)14(33-18)11(26)7(24)3-20/h6-8,10-16,20-24,26-28H,2-5H2,1H3,(H,19,25)(H,29,30)/t6-,7-,8+,10+,11+,12-,13-,14+,15-,16+,18-/m0/s1
Definition date:	2023-09-06
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	methyl 3-O-[3,5-dideoxy-5-(2-hydroxyacetamido)-L-glycero-alpha-D-gulo-non-2-ulopyranonosyl]-beta-D-talopyranoside

YGO

YGO
Name:	(1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide
Formula:	C28 H38 N4 O4
SMILES:	CC(C)(C)c1cc(NC(=O)c2nnn(c3cc(ccc3OC)OC)c2C)c(OC(CC)CCC)cc1
InChi:	InChI=1S/C28H38N4O4/c1-9-11-20(10-2)36-24-14-12-19(28(4,5)6)16-22(24)29-27(33)26-18(3)32(31-30-26)23-17-21(34-7)13-15-25(23)35-8/h12-17,20H,9-11H2,1-8H3,(H,29,33)/t20-/m1/s1
Definition date:	2023-06-14
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	(1P)-N-(5-tert-butyl-2-{[(3R)-hexan-3-yl]oxy}phenyl)-1-(2,5-dimethoxyphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxamide

UG3

UG3
Name:	bis[oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
Formula:	H7 O16 P5
SMILES:	O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
InChi:	InChI=1S/H7O16P5/c1-17(2,3)13-19(7,8)15-21(11,12)16-20(9,10)14-18(4,5)6/h(H,7,8)(H,9,10)(H,11,12)(H2,1,2,3)(H2,4,5,6)
Definition date:	2023-05-29
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	bis[oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate

QTN

QTN
Name:	(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol
Formula:	C26 H27 Cl N4 O5 S
SMILES:	C[S](C)(O)Nc1ccc(cc1)c2ccc(cc2)c3nc4[nH]c(O[CH]5CO[CH]6[CH](O)CO[CH]56)nc4cc3Cl
InChi:	InChI=1S/C26H27ClN4O5S/c1-37(2,33)31-17-9-7-15(8-10-17)14-3-5-16(6-4-14)22-18(27)11-19-25(29-22)30-26(28-19)36-21-13-35-23-20(32)12-34-24(21)23/h3-11,20-21,23-24,31-33H,12-13H2,1-2H3,(H,28,29,30)/t20-,21-,23-,24-/m1/s1
Definition date:	2020-08-07
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol

W4O

W4O
Name:	[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoate
Formula:	C51 H80 O15
SMILES:	CCC=CCC=CCC=CCC=CCCCCC(=O)OC[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCC=CCC=CCC=CCC=CCC
InChi:	InChI=1S/C51H80O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h5-8,11-14,17-20,23-26,39-41,44-52,55-60H,3-4,9-10,15-16,21-22,27-38H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-,40-,41-,44+,45+,46+,47+,48-,49-,50-,51+/m1/s1
Definition date:	2023-04-27
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoate

W6E

W6E
Name:	7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine
Formula:	C10 H8 N6
SMILES:	Nc1ncc2ccc(cc2n1)c3[nH]nnc3
InChi:	InChI=1S/C10H8N6/c11-10-12-4-7-2-1-6(3-8(7)14-10)9-5-13-16-15-9/h1-5H,(H2,11,12,14)(H,13,15,16)
Definition date:	2023-05-09
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine

W6T

W6T
Name:	quinazolin-2-amine
Formula:	C8 H7 N3
SMILES:	Nc1ncc2ccccc2n1
InChi:	InChI=1S/C8H7N3/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H,(H2,9,10,11)
Definition date:	2023-05-09
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	quinazolin-2-amine

W4I

W4I
Name:	[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (5~{Z},8~{Z},11~{Z},14~{Z},17~{Z})-icosa-5,8,11,14,17-pentaenoate
Formula:	C53 H82 O15
SMILES:	CCC=CCC=CCC=CCC=CCCCCC(=O)O[CH](CO[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)COC(=O)CCCC=CCC=CCC=CCC=CCC=CCC
InChi:	InChI=1S/C53H82O15/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-44(55)63-38-41(66-45(56)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2)39-64-52-51(62)49(60)47(58)43(68-52)40-65-53-50(61)48(59)46(57)42(37-54)67-53/h5-8,11-14,17-19,21-23,26-29,41-43,46-54,57-62H,3-4,9-10,15-16,20,24-25,30-40H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,21-18-,23-22-,28-26-,29-27-/t41-,42-,43-,46+,47+,48+,49+,50-,51-,52-,53+/m1/s1
Definition date:	2023-04-27
Last modified:	2024-05-10
Release date:	2024-05-15
Identifier:	[(2~{S})-3-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(6~{Z},9~{Z},12~{Z},15~{Z})-octadeca-6,9,12,15-tetraenoyl]oxy-propyl] (5~{Z},8~{Z},11~{Z},14~{Z},17~{Z})-icosa-5,8,11,14,17-pentaenoate

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