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MLW

MLW
Name:	4-chloranyl-5~{H}-cyclohepta[b]indol-10-one
Formula:	C13 H8 Cl N O
SMILES:	Clc1cccc2c1[nH]c3C=CC=CC(=O)c23
InChi:	InChI=1S/C13H8ClNO/c14-9-5-3-4-8-12-10(15-13(8)9)6-1-2-7-11(12)16/h1-7,15H
Definition date:	2019-10-18
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	4-chloranyl-5~{H}-cyclohepta[b]indol-10-one

OY4

OY4
Name:	N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide
Formula:	C15 H16 F N5 O3 S
SMILES:	c2(ccc1CC(c1c2)NC(=N/O)c3nonc3SCCNC(C)=O)F
InChi:	InChI=1S/C15H16FN5O3S/c1-8(22)17-4-5-25-15-13(20-24-21-15)14(19-23)18-12-6-9-2-3-10(16)7-11(9)12/h2-3,7,12,23H,4-6H2,1H3,(H,17,22)(H,18,19)/t12-/m0/s1
Definition date:	2019-07-18
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	N-{2-[(4-{N-[(7S)-4-fluorobicyclo[4.2.0]octa-1,3,5-trien-7-yl]-N'-hydroxycarbamimidoyl}-1,2,5-oxadiazol-3-yl)sulfanyl]ethyl}acetamide

M5W

M5W
Name:	5-amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide
Formula:	C15 H20 N4 O2
SMILES:	COc1cccc(c1)c2nn(c(N)c2C(N)=O)C(C)(C)C
InChi:	InChI=1S/C15H20N4O2/c1-15(2,3)19-13(16)11(14(17)20)12(18-19)9-6-5-7-10(8-9)21-4/h5-8H,16H2,1-4H3,(H2,17,20)
Definition date:	2019-10-03
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	5-azanyl-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide

OE4

OE4
Name:	N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide
Formula:	C24 H20 N4 O3
SMILES:	c1cncc(c1)C5CN(C(Nc2ccc(cc2)CN3C(c4c(C3=O)cccc4)=O)=O)C5
InChi:	InChI=1S/C24H20N4O3/c29-22-20-5-1-2-6-21(20)23(30)28(22)13-16-7-9-19(10-8-16)26-24(31)27-14-18(15-27)17-4-3-11-25-12-17/h1-12,18H,13-15H2,(H,26,31)
Definition date:	2019-06-21
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide

Q0M

Q0M
Name:	3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide
Formula:	C19 H17 Br Cl N3 O5 S
SMILES:	c3(NS(c1cc(cc(c1O)Cl)Br)(=O)=O)c(c(C(NC)=O)cc(C2(CCC2)C#N)c3)O
InChi:	InChI=1S/C19H17BrClN3O5S/c1-23-18(27)12-5-10(19(9-22)3-2-4-19)6-14(16(12)25)24-30(28,29)15-8-11(20)7-13(21)17(15)26/h5-8,24-26H,2-4H2,1H3,(H,23,27)
Definition date:	2019-09-03
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	3-{[(5-bromo-3-chloro-2-hydroxyphenyl)sulfonyl]amino}-5-(1-cyanocyclobutyl)-2-hydroxy-N-methylbenzamide

Q0S

Q0S
Name:	5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide
Formula:	C13 H11 Br F5 N O5 S3
SMILES:	c1(cc(ccc1O)Br)S(Nc2cc(S(F)(F)(F)(F)F)cc(c2)S(C)(=O)=O)(=O)=O
InChi:	InChI=1S/C13H11BrF5NO5S3/c1-26(22,23)10-5-9(6-11(7-10)28(15,16,17,18)19)20-27(24,25)13-4-8(14)2-3-12(13)21/h2-7,20-21H,1H3
Definition date:	2019-09-03
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	5-bromo-2-hydroxy-N-[3-(methylsulfonyl)-5-(pentafluoro-lambda~6~-sulfanyl)phenyl]benzene-1-sulfonamide

Q1G

Q1G
Name:	5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide
Formula:	C17 H15 Br N2 O4 S
SMILES:	c1(c(ccc(c1)Br)O)S(Nc3cc(C2(CCC2)C#N)ccc3O)(=O)=O
InChi:	InChI=1S/C17H15BrN2O4S/c18-12-3-5-15(22)16(9-12)25(23,24)20-13-8-11(2-4-14(13)21)17(10-19)6-1-7-17/h2-5,8-9,20-22H,1,6-7H2
Definition date:	2019-09-06
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	5-bromo-N-[5-(1-cyanocyclobutyl)-2-hydroxyphenyl]-2-hydroxybenzene-1-sulfonamide

Q1J

Q1J
Name:	5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide
Formula:	C19 H16 Br N O4 S
SMILES:	c1(ccc(c(c1)S(Nc3c(ccc(c2ccccc2)c3)O)(=O)=O)OC)Br
InChi:	InChI=1S/C19H16BrNO4S/c1-25-18-10-8-15(20)12-19(18)26(23,24)21-16-11-14(7-9-17(16)22)13-5-3-2-4-6-13/h2-12,21-22H,1H3
Definition date:	2019-09-06
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	5-bromo-N-(4-hydroxy[1,1'-biphenyl]-3-yl)-2-methoxybenzene-1-sulfonamide

Q1M

Q1M
Name:	3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid
Formula:	C14 H11 Br Cl N O6 S
SMILES:	c1c(cc(C(=O)O)c(c1NS(c2c(OC)ccc(c2)Br)(=O)=O)O)Cl
InChi:	InChI=1S/C14H11BrClNO6S/c1-23-11-3-2-7(15)4-12(11)24(21,22)17-10-6-8(16)5-9(13(10)18)14(19)20/h2-6,17-18H,1H3,(H,19,20)
Definition date:	2019-09-06
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	3-{[(5-bromo-2-methoxyphenyl)sulfonyl]amino}-5-chloro-2-hydroxybenzoic acid

Q1P

Q1P
Name:	3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid
Formula:	C16 H13 Br F N O6 S
SMILES:	c2(C1CC1)cc(c(c(C(O)=O)c2F)O)NS(=O)(=O)c3cc(ccc3O)Br
InChi:	InChI=1S/C16H13BrFNO6S/c17-8-3-4-11(20)12(5-8)26(24,25)19-10-6-9(7-1-2-7)14(18)13(15(10)21)16(22)23/h3-7,19-21H,1-2H2,(H,22,23)
Definition date:	2019-09-06
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid

Q1S

Q1S
Name:	N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine
Formula:	C20 H21 N5 O2
SMILES:	c4(Nc1cc([N+]([O-])=O)ccc1N2CCN(CC2)C)c3ccccc3ccn4
InChi:	InChI=1S/C20H21N5O2/c1-23-10-12-24(13-11-23)19-7-6-16(25(26)27)14-18(19)22-20-17-5-3-2-4-15(17)8-9-21-20/h2-9,14H,10-13H2,1H3,(H,21,22)
Definition date:	2019-09-06
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine

Q4D

Q4D
Name:	(4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide
Formula:	C40 H52 Cl F2 N5 O7 S
SMILES:	C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(CC(N(CCC=CC(C6C(C5)CC6)OCCN7CC(C7)(F)F)C)=O)(C(NS(=O)(N(C)C)=O)=O)O
InChi:	InChI=1S/C40H52ClF2N5O7S/c1-45(2)56(52,53)44-37(50)40(51)21-36(49)46(3)16-5-4-8-34(54-18-17-47-24-39(42,43)25-47)31-12-9-28(31)22-48-23-38(26-55-35-14-10-29(40)20-33(35)48)15-6-7-27-19-30(41)11-13-32(27)38/h4,8,10-11,13-14,19-20,28,31,34,51H,5-7,9,12,15-18,21-26H2,1-3H3,(H,44,50)/b8-4+/t28-,31+,34-,38-,40+/m0/s1
Definition date:	2019-09-20
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	(4S,7aR,9aR,10S,11E,18R)-6'-chloro-10-[2-(3,3-difluoroazetidin-1-yl)ethoxy]-N-(dimethylsulfamoyl)-18-hydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide

Q4S

Q4S
Name:	(4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide
Formula:	C36 H47 Cl N4 O7 S
SMILES:	C1C3(c2c(CC1)cc(cc2)Cl)CN5c4c(OC3)ccc(c4)C(CC(N(CCC=CC(C6C(C5)CC6)OC)C)=O)(C(NS(=O)(N(C)C)=O)=O)O
InChi:	InChI=1S/C36H47ClN4O7S/c1-39(2)49(45,46)38-34(43)36(44)20-33(42)40(3)17-6-5-9-31(47-4)28-13-10-25(28)21-41-22-35(23-48-32-15-11-26(36)19-30(32)41)16-7-8-24-18-27(37)12-14-29(24)35/h5,9,11-12,14-15,18-19,25,28,31,44H,6-8,10,13,16-17,20-23H2,1-4H3,(H,38,43)/b9-5+/t25-,28+,31-,35-,36+/m0/s1
Definition date:	2019-09-23
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	(4S,7aR,9aR,10S,11E,18R)-6'-chloro-N-(dimethylsulfamoyl)-18-hydroxy-10-methoxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxamide

Q4V

Q4V
Name:	(4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid
Formula:	C33 H39 Cl N2 O6
SMILES:	C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(CC(N(CCC=CC(C6C(C5)CC6)O)C)=O)(C(O)=O)O
InChi:	InChI=1S/C33H39ClN2O6/c1-35-14-3-2-6-28(37)25-10-7-22(25)18-36-19-32(13-4-5-21-15-24(34)9-11-26(21)32)20-42-29-12-8-23(16-27(29)36)33(41,31(39)40)17-30(35)38/h2,6,8-9,11-12,15-16,22,25,28,37,41H,3-5,7,10,13-14,17-20H2,1H3,(H,39,40)/b6-2+/t22-,25+,28-,32-,33+/m0/s1
Definition date:	2019-09-23
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	(4S,7aR,9aR,10S,11E,18R)-6'-chloro-10,18-dihydroxy-15-methyl-16-oxo-3',4',7,7a,8,9,9a,10,13,14,15,16,17,18-tetradecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)cyclobuta[n][1,4]oxazepino[4,3-a][1,8]diazacyclohexadecine-4,1'-naphthalene]-18-carboxylic acid

Q4Y

Q4Y
Name:	(4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid
Formula:	C30 H35 Cl N2 O5
SMILES:	C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(CC(N(CC=CCCCC5)C)=O)(C(O)=O)O
InChi:	InChI=1S/C30H35ClN2O5/c1-32-14-5-3-2-4-6-15-33-19-29(13-7-8-21-16-23(31)10-11-24(21)29)20-38-26-12-9-22(17-25(26)33)30(37,28(35)36)18-27(32)34/h3,5,9-12,16-17,37H,2,4,6-8,13-15,18-20H2,1H3,(H,35,36)/b5-3+/t29-,30+/m0/s1
Definition date:	2019-09-23
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	(4S,11E,17R)-6'-chloro-17-hydroxy-14-methyl-15-oxo-3',4',8,9,10,13,14,15,16,17-decahydro-2'H,3H,5H,7H-spiro[1,18-(ethanediylidene)[1,4]oxazepino[4,3-a][1,8]diazacyclopentadecine-4,1'-naphthalene]-17-carboxylic acid

Q51

Q51
Name:	(4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione
Formula:	C32 H39 Cl N2 O5 S
SMILES:	C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(NS(C(C(CC=CC(C6C(C5)CC6)O)C)C)(=O)=O)=O
InChi:	InChI=1S/C32H39ClN2O5S/c1-20-5-3-7-29(36)26-11-8-24(26)17-35-18-32(14-4-6-22-15-25(33)10-12-27(22)32)19-40-30-13-9-23(16-28(30)35)31(37)34-41(38,39)21(20)2/h3,7,9-10,12-13,15-16,20-21,24,26,29,36H,4-6,8,11,14,17-19H2,1-2H3,(H,34,37)/b7-3+/t20-,21+,24-,26+,29-,32-/m0/s1
Definition date:	2019-09-23
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	(4S,7aR,9aR,10S,11E,14S,15R)-6'-chloro-10-hydroxy-14,15-dimethyl-3',4',7a,8,9,9a,10,13,14,15-decahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione

Q6M

Q6M
Name:	7-[(3-aminopropyl)amino]heptane-2,2-diol
Formula:	C10 H24 N2 O2
SMILES:	C(NCCCCCC(C)(O)O)CCN
InChi:	InChI=1S/C10H24N2O2/c1-10(13,14)6-3-2-4-8-12-9-5-7-11/h12-14H,2-9,11H2,1H3
Definition date:	2019-09-25
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	7-[(3-aminopropyl)amino]heptane-2,2-diol

Q6P

Q6P
Name:	7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol
Formula:	C11 H26 N2 O3
SMILES:	C(CNCCCN)CCCC(COC)(O)O
InChi:	InChI=1S/C11H26N2O3/c1-16-10-11(14,15)6-3-2-4-8-13-9-5-7-12/h13-15H,2-10,12H2,1H3
Definition date:	2019-09-25
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	7-[(3-aminopropyl)amino]-1-methoxyheptane-2,2-diol

Q7V

Q7V
Name:	5-(3-azanylpropylamino)pentyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
Formula:	C8 H22 B N2 O3
SMILES:	C([B+](O)(O)O)CCCCNCCCN
InChi:	InChI=1S/C8H22BN2O3/c10-6-4-8-11-7-3-1-2-5-9(12,13)14/h11-14H,1-8,10H2/q+1
Definition date:	2019-10-02
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	{5-[(3-aminopropyl)amino]pentyl}(trihydroxy)boranium

Q7Y

Q7Y
Name:	7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one
Formula:	C10 H22 N2 O S
SMILES:	C(C(CS)=O)CCCCNCCCN
InChi:	InChI=1S/C10H22N2OS/c11-6-4-8-12-7-3-1-2-5-10(13)9-14/h12,14H,1-9,11H2
Definition date:	2019-10-02
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	7-[(3-aminopropyl)amino]-1-sulfanylheptan-2-one

Q9J

Q9J
Name:	(5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide
Formula:	C17 H17 N5 O2 S
SMILES:	C5C4Cn3c(c(C(N)=O)c(c2cc1c(scn1)cc2)n3)NC(C4)C5O
InChi:	InChI=1S/C17H17N5O2S/c18-16(24)14-15(9-1-2-13-11(5-9)19-7-25-13)21-22-6-8-3-10(12(23)4-8)20-17(14)22/h1-2,5,7-8,10,12,20,23H,3-4,6H2,(H2,18,24)/t8-,10+,12+/m1/s1
Definition date:	2019-10-07
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	(5S,6S,8R)-2-(1,3-benzothiazol-5-yl)-6-hydroxy-4,5,6,7,8,9-hexahydro-5,8-methanopyrazolo[1,5-a][1,3]diazocine-3-carboxamide

CKO

CKO
Name:	E-4-(dimethylamino)-N-[3-[4-[[(1S)-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide
Formula:	C32 H31 N5 O3
SMILES:	CN(C)CC=CC(=O)Nc1cccc(c1)c2c(oc3ncnc(N[CH](CO)c4ccccc4)c23)c5ccccc5
InChi:	InChI=1S/C32H31N5O3/c1-37(2)18-10-17-27(39)35-25-16-9-15-24(19-25)28-29-31(36-26(20-38)22-11-5-3-6-12-22)33-21-34-32(29)40-30(28)23-13-7-4-8-14-23/h3-17,19,21,26,38H,18,20H2,1-2H3,(H,35,39)(H,33,34,36)/b17-10+/t26-/m1/s1
Definition date:	2019-05-08
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	(~{E})-4-(dimethylamino)-~{N}-[3-[4-[[(1~{S})-2-oxidanyl-1-phenyl-ethyl]amino]-6-phenyl-furo[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide

DQ0

DQ0
Name:	4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid
Formula:	C21 H21 Cl N4 O4
SMILES:	Nc1nc(N)c(c(COc2cccc(OCCCC(O)=O)c2)n1)c3cccc(Cl)c3
InChi:	InChI=1S/C21H21ClN4O4/c22-14-5-1-4-13(10-14)19-17(25-21(24)26-20(19)23)12-30-16-7-2-6-15(11-16)29-9-3-8-18(27)28/h1-2,4-7,10-11H,3,8-9,12H2,(H,27,28)(H4,23,24,25,26)
Definition date:	2019-08-21
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	4-[3-[[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]methoxy]phenoxy]butanoic acid

DQ3

DQ3
Name:	5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine
Formula:	C19 H19 Cl N4 O
SMILES:	Nc1nc(N)c(c(CCCOc2ccccc2)n1)c3cccc(Cl)c3
InChi:	InChI=1S/C19H19ClN4O/c20-14-7-4-6-13(12-14)17-16(23-19(22)24-18(17)21)10-5-11-25-15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11H2,(H4,21,22,23,24)
Definition date:	2019-08-21
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	5-(3-chlorophenyl)-6-(3-phenoxypropyl)pyrimidine-2,4-diamine

DQ9

DQ9
Name:	2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid
Formula:	C21 H21 Cl N4 O4
SMILES:	Nc1nc(N)c(c(CCCOc2cccc(OCC(O)=O)c2)n1)c3cccc(Cl)c3
InChi:	InChI=1S/C21H21ClN4O4/c22-14-5-1-4-13(10-14)19-17(25-21(24)26-20(19)23)8-3-9-29-15-6-2-7-16(11-15)30-12-18(27)28/h1-2,4-7,10-11H,3,8-9,12H2,(H,27,28)(H4,23,24,25,26)
Definition date:	2019-08-21
Last modified:	2019-11-29
Release date:	2019-12-04
Identifier:	2-[3-[3-[2,6-bis(azanyl)-5-(3-chlorophenyl)pyrimidin-4-yl]propoxy]phenoxy]ethanoic acid

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