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PDB Info pages Status search Chemie search: 36438 results BIRD

EWO

EWO
Name:	(4R)-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Formula:	C12 H12 F N3
SMILES:	Fc1ccc(cc1)[CH]2NCCc3[nH]cnc23
InChi:	InChI=1S/C12H12FN3/c13-9-3-1-8(2-4-9)11-12-10(5-6-14-11)15-7-16-12/h1-4,7,11,14H,5-6H2,(H,15,16)/t11-/m1/s1
Definition date:	2020-02-12
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	(4~{R})-4-(4-fluorophenyl)-4,5,6,7-tetrahydro-1~{H}-imidazo[4,5-c]pyridine

QCB

QCB
Name:	(2~{S},3~{R})-2-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid
Formula:	C16 H23 N6 O10 P
SMILES:	C[CH](O)[CH](NC(=O)C[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
InChi:	InChI=1S/C16H23N6O10P/c1-6(23)9(16(27)28)21-8(24)3-33(29,30)31-2-7-11(25)12(26)15(32-7)22-5-20-10-13(17)18-4-19-14(10)22/h4-7,9,11-12,15,23,25-26H,2-3H2,1H3,(H,21,24)(H,27,28)(H,29,30)(H2,17,18,19)/t6-,7-,9+,11-,12-,15-/m1/s1
Definition date:	2020-06-04
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	(2~{S},3~{R})-2-[2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]ethanoylamino]-3-oxidanyl-butanoic acid

QJN

QJN
Name:	(1~{R},2~{S},4~{R},5~{S},6~{R})-6-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol
Formula:	C20 H38 O10
SMILES:	CCCCCCCO[CH]1[CH](O)[CH](O)[CH](O[CH]1CO)O[CH]2[CH](O)[CH](O)C[CH](O)[CH]2CO
InChi:	InChI=1S/C20H38O10/c1-2-3-4-5-6-7-28-19-14(10-22)29-20(17(27)16(19)26)30-18-11(9-21)12(23)8-13(24)15(18)25/h11-27H,2-10H2,1H3/t11-,12+,13-,14+,15+,16+,17+,18+,19+,20+/m0/s1
Definition date:	2020-06-18
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	(1~{R},2~{S},4~{R},5~{S},6~{R})-6-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-heptoxy-6-(hydroxymethyl)-3,4-bis(oxidanyl)oxan-2-yl]oxy-5-(hydroxymethyl)cyclohexane-1,2,4-triol

R1D

R1D
Name:	5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide
Formula:	C21 H18 F3 N3 O5
SMILES:	COc1c(ccc(c1)CCNC(C=3N=C(c2ccccc2C(F)(F)F)NC(C=3O)=O)=O)O
InChi:	InChI=1S/C21H18F3N3O5/c1-32-15-10-11(6-7-14(15)28)8-9-25-19(30)16-17(29)20(31)27-18(26-16)12-4-2-3-5-13(12)21(22,23)24/h2-7,10,28-29H,8-9H2,1H3,(H,25,30)(H,26,27,31)
Definition date:	2020-01-23
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide

R7J

R7J
Name:	[5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid
Formula:	C16 H11 F O3
SMILES:	c2cc1c(c(CC(O)=O)co1)cc2c3cccc(c3)F
InChi:	InChI=1S/C16H11FO3/c17-13-3-1-2-10(6-13)11-4-5-15-14(7-11)12(9-20-15)8-16(18)19/h1-7,9H,8H2,(H,18,19)
Definition date:	2020-02-06
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	[5-(3-fluorophenyl)-1-benzofuran-3-yl]acetic acid

R7P

R7P
Name:	2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6H-pyrimido[5,4-d][1,3]benzodiazepin-6-one
Formula:	C25 H29 N7 O2
SMILES:	COc1cc(ccc1Nc4ncc3NC(=O)Nc2cc(C)ccc2c3n4)N5CC(C)NC(C)C5
InChi:	InChI=1S/C25H29N7O2/c1-14-5-7-18-20(9-14)29-25(33)30-21-11-26-24(31-23(18)21)28-19-8-6-17(10-22(19)34-4)32-12-15(2)27-16(3)13-32/h5-11,15-16,27H,12-13H2,1-4H3,(H,26,28,31)(H2,29,30,33)/t15-,16+
Definition date:	2020-02-06
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	2-({4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-methoxyphenyl}amino)-9-methyl-5,7-dihydro-6H-pyrimido[5,4-d][1,3]benzodiazepin-6-one

Q2H

Q2H
Name:	~{N}-methyl-~{N}-[3-[(~{E})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide
Formula:	C19 H17 F3 N6 O2 S
SMILES:	CN(c1ncccc1C=Nc2nc(Nc3ccccc3)ncc2C(F)(F)F)[S](C)(=O)=O
InChi:	InChI=1S/C19H17F3N6O2S/c1-28(31(2,29)30)17-13(7-6-10-23-17)11-24-16-15(19(20,21)22)12-25-18(27-16)26-14-8-4-3-5-9-14/h3-12H,1-2H3,(H,25,26,27)/b24-11+
Definition date:	2020-05-07
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	~{N}-methyl-~{N}-[3-[(~{E})-[2-phenylazanyl-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]pyridin-2-yl]methanesulfonamide

Q6N

Q6N
Name:	2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid
Formula:	C39 H51 N5 O6
SMILES:	COc1cccc(OC)c1c2cc(nn2c3ccc(cc3C(C)C)C(=O)N(C)CCCN(C)C)C(=O)NC4(C5CC6CC(C5)CC4C6)C(O)=O
InChi:	InChI=1S/C39H51N5O6/c1-23(2)29-21-26(37(46)43(5)15-9-14-42(3)4)12-13-31(29)44-32(35-33(49-6)10-8-11-34(35)50-7)22-30(41-44)36(45)40-39(38(47)48)27-17-24-16-25(19-27)20-28(39)18-24/h8,10-13,21-25,27-28H,9,14-20H2,1-7H3,(H,40,45)(H,47,48)/t24-,25+,27-,28+,39-
Definition date:	2020-05-26
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	2-[[5-(2,6-dimethoxyphenyl)-1-[4-[3-(dimethylamino)propyl-methyl-carbamoyl]-2-propan-2-yl-phenyl]pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid

Q6Q

Q6Q
Name:	2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid
Formula:	C32 H31 Cl N4 O5
SMILES:	COc1cccc(OC)c1c2cc(nn2c3ccnc4cc(Cl)ccc34)C(=O)NC5(C6CC7CC(C6)CC5C7)C(O)=O
InChi:	InChI=1S/C32H31ClN4O5/c1-41-27-4-3-5-28(42-2)29(27)26-16-24(36-37(26)25-8-9-34-23-15-21(33)6-7-22(23)25)30(38)35-32(31(39)40)19-11-17-10-18(13-19)14-20(32)12-17/h3-9,15-20H,10-14H2,1-2H3,(H,35,38)(H,39,40)/t17-,18+,19-,20+,32-
Definition date:	2020-05-26
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]adamantane-2-carboxylic acid

RJB

RJB
Name:	2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid
Formula:	C20 H18 N2 O3 S
SMILES:	OC(=O)CC1(Cc2ccccc2C1)C(=O)NCc3sc4ccccc4n3
InChi:	InChI=1S/C20H18N2O3S/c23-18(24)11-20(9-13-5-1-2-6-14(13)10-20)19(25)21-12-17-22-15-7-3-4-8-16(15)26-17/h1-8H,9-12H2,(H,21,25)(H,23,24)
Definition date:	2020-09-30
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	2-[2-(1,3-benzothiazol-2-ylmethylcarbamoyl)-1,3-dihydroinden-2-yl]ethanoic acid

PKE

PKE
Name:	~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
Formula:	C20 H21 N7 O3 S
SMILES:	CN(c1ncccc1CNc2ccnc(Nc3ccc4NC(=O)Cc4c3)n2)[S](C)(=O)=O
InChi:	InChI=1S/C20H21N7O3S/c1-27(31(2,29)30)19-13(4-3-8-21-19)12-23-17-7-9-22-20(26-17)24-15-5-6-16-14(10-15)11-18(28)25-16/h3-10H,11-12H2,1-2H3,(H,25,28)(H2,22,23,24,26)
Definition date:	2020-04-24
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide

PVT

PVT
Name:	5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
Formula:	C19 H15 F3 N6 O
SMILES:	FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc4cccnc4
InChi:	InChI=1S/C19H15F3N6O/c20-19(21,22)14-10-25-18(28-17(14)24-9-11-2-1-5-23-8-11)26-13-3-4-15-12(6-13)7-16(29)27-15/h1-6,8,10H,7,9H2,(H,27,29)(H2,24,25,26,28)
Definition date:	2020-04-29
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one

P4N

P4N
Name:	6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{H}-quinolin-2-one
Formula:	C22 H20 F3 N5 O3 S
SMILES:	C[S](=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1
InChi:	InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)
Definition date:	2020-04-15
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	6-[[4-[(3-methylsulfonylphenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-3,4-dihydro-1~{H}-quinolin-2-one

P7N

P7N
Name:	~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide
Formula:	C22 H22 F3 N7 O3 S
SMILES:	CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)[S](C)(=O)=O
InChi:	InChI=1S/C22H22F3N7O3S/c1-32(36(2,34)35)20-14(4-3-9-26-20)11-27-19-16(22(23,24)25)12-28-21(31-19)29-15-6-7-17-13(10-15)5-8-18(33)30-17/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,30,33)(H2,27,28,29,31)
Definition date:	2020-04-16
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	~{N}-methyl-~{N}-[3-[[[2-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide

P9K

P9K
Name:	N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
Formula:	C22 H19 F3 N6 O3 S
SMILES:	CN(c1ccccc1C=Nc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)[S](C)(=O)=O
InChi:	InChI=1S/C22H19F3N6O3S/c1-31(35(2,33)34)18-6-4-3-5-13(18)11-26-20-16(22(23,24)25)12-27-21(30-20)28-15-7-8-17-14(9-15)10-19(32)29-17/h3-9,11-12H,10H2,1-2H3,(H,29,32)(H,27,28,30)/b26-11+
Definition date:	2020-04-20
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	~{N}-methyl-~{N}-[2-[(~{E})-[2-[(2-oxidanylidene-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]iminomethyl]phenyl]methanesulfonamide

T72

T72
Name:	3-(5-(3,5-bis(trifluoromethyl)phenyl)-4-phenyloxazol-2-yl)propanoic acid
Formula:	C20 H13 F6 N O3
SMILES:	OC(=O)CCc1oc(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(n1)c3ccccc3
InChi:	InChI=1S/C20H13F6NO3/c21-19(22,23)13-8-12(9-14(10-13)20(24,25)26)18-17(11-4-2-1-3-5-11)27-15(30-18)6-7-16(28)29/h1-5,8-10H,6-7H2,(H,28,29)
Synonyms:	3-[5-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid
Definition date:	2020-12-16
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	3-[5-[3,5-bis(trifluoromethyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid

SR5

SR5
Name:	(2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid
Formula:	C27 H27 Cl N4 O5
SMILES:	COc1cccc(OC)c1c2cc(nn2c3ccnc4cc(Cl)ccc34)C(=O)N[CH](CC(C)C)C(O)=O
InChi:	InChI=1S/C27H27ClN4O5/c1-15(2)12-20(27(34)35)30-26(33)19-14-22(25-23(36-3)6-5-7-24(25)37-4)32(31-19)21-10-11-29-18-13-16(28)8-9-17(18)21/h5-11,13-15,20H,12H2,1-4H3,(H,30,33)(H,34,35)/t20-/m0/s1
Definition date:	2020-06-08
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	(2~{S})-2-[[1-(7-chloranylquinolin-4-yl)-5-(2,6-dimethoxyphenyl)pyrazol-3-yl]carbonylamino]-4-methyl-pentanoic acid

SR9

SR9
Name:	(2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid
Formula:	C24 H23 N3 O5 S
SMILES:	CC(C)C[CH](NC(=O)c1cn(c2ccccc12)[S](=O)(=O)c3cccc4cccnc34)C(O)=O
InChi:	InChI=1S/C24H23N3O5S/c1-15(2)13-19(24(29)30)26-23(28)18-14-27(20-10-4-3-9-17(18)20)33(31,32)21-11-5-7-16-8-6-12-25-22(16)21/h3-12,14-15,19H,13H2,1-2H3,(H,26,28)(H,29,30)/t19-/m0/s1
Definition date:	2020-06-04
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	(2~{S})-4-methyl-2-[(1-quinolin-8-ylsulfonylindol-3-yl)carbonylamino]pentanoic acid

UF4

UF4
Name:	4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine
Formula:	C26 H25 N5 O3
SMILES:	CC(N)(C#Cc1cnc2n(cnc2c1)Cc3cc4c(cc3)OC(CO4)c5cnc(cc5)OC)C
InChi:	InChI=1S/C26H25N5O3/c1-26(2,27)9-8-17-10-20-25(29-12-17)31(16-30-20)14-18-4-6-21-22(11-18)33-15-23(34-21)19-5-7-24(32-3)28-13-19/h4-7,10-13,16,23H,14-15,27H2,1-3H3/t23-/m1/s1
Definition date:	2020-05-14
Last modified:	2021-02-05
Release date:	2021-02-10
Identifier:	4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine

X54

X54
Name:	1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol
Formula:	C9 H23 N3 O2
SMILES:	C(CCNCCCCNC(C)(O)O)N
InChi:	InChI=1S/C9H23N3O2/c1-9(13,14)12-8-3-2-6-11-7-4-5-10/h11-14H,2-8,10H2,1H3
Definition date:	2020-11-30
Last modified:	2021-01-29
Release date:	2021-02-03
Identifier:	1-({4-[(3-aminopropyl)amino]butyl}amino)ethane-1,1-diol

X9D

X9D
Name:	4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate
Formula:	C19 H20 N3 O9 P
SMILES:	C(c1c[nH+]c(c(c1[C@H]=[NH+][C-](CC3(O)c2ccccc2NC3=O)C(O)=O)[O-])C)OP(O)(=O)O
InChi:	InChI=1S/C19H20N3O9P/c1-10-16(23)12(11(7-20-10)9-31-32(28,29)30)8-21-15(17(24)25)6-19(27)13-4-2-3-5-14(13)22-18(19)26/h2-5,7-8,21,23,27H,6,9H2,1H3,(H,22,26)(H,24,25)(H2,28,29,30)/b21-8+/t19-/m1/s1
Definition date:	2020-12-07
Last modified:	2021-01-29
Release date:	2021-02-03
Identifier:	4-[(E)-({1-carboxy-2-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]ethan-1-id-1-yl}iminio)methyl]-2-methyl-5-[(phosphonooxy)methyl]pyridin-1-ium-3-olate

XWS

XWS
Name:	(2R,4R)-1-phenylhexahydropyrimidine-2,4-diol
Formula:	C10 H14 N2 O2
SMILES:	N1(CCC(NC1O)O)c2ccccc2
InChi:	InChI=1S/C10H14N2O2/c13-9-6-7-12(10(14)11-9)8-4-2-1-3-5-8/h1-5,9-11,13-14H,6-7H2/t9-,10-/m1/s1
Definition date:	2021-01-18
Last modified:	2021-01-29
Release date:	2021-02-03
Identifier:	(2R,4R)-1-phenylhexahydropyrimidine-2,4-diol

JVK

JVK
Name:	(2~{S})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid
Formula:	C13 H16 Cl N O3 S
SMILES:	CC(C)[CH](NC(=O)CSc1ccc(Cl)cc1)C(O)=O
InChi:	InChI=1S/C13H16ClNO3S/c1-8(2)12(13(17)18)15-11(16)7-19-10-5-3-9(14)4-6-10/h3-6,8,12H,7H2,1-2H3,(H,15,16)(H,17,18)/t12-/m0/s1
Definition date:	2019-04-03
Last modified:	2021-01-29
Release date:	2021-02-03
Identifier:	(2~{S})-2-[2-(4-chlorophenyl)sulfanylethanoylamino]-3-methyl-butanoic acid

K7Z

K7Z
Name:	(2~{S})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid
Formula:	C14 H18 Cl N O3 S
SMILES:	CC(C)[CH](NC(=O)CCSc1ccc(Cl)cc1)C(O)=O
InChi:	InChI=1S/C14H18ClNO3S/c1-9(2)13(14(18)19)16-12(17)7-8-20-11-5-3-10(15)4-6-11/h3-6,9,13H,7-8H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
Definition date:	2019-05-02
Last modified:	2021-01-29
Release date:	2021-02-03
Identifier:	(2~{S})-2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-butanoic acid

KK9

KK9
Name:	N-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide
Formula:	C16 H16 Cl N O2
SMILES:	CCC(=O)Nc1ccc(C)c(Oc2ccc(Cl)cc2)c1
InChi:	InChI=1S/C16H16ClNO2/c1-3-16(19)18-13-7-4-11(2)15(10-13)20-14-8-5-12(17)6-9-14/h4-10H,3H2,1-2H3,(H,18,19)
Definition date:	2020-07-30
Last modified:	2021-01-29
Release date:	2021-02-03
Identifier:	~{N}-[3-(4-chloranylphenoxy)-4-methyl-phenyl]propanamide

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