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PDB Info pages Status search Chemie search: 39822 results BIRD

C9W

C9W
Name:	4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide
Formula:	C21 H23 F N4 O5 S
SMILES:	N#CC1(C)CN(C1)C(=O)c1cc([NH]c1C)S(=O)(=O)NC1COc2cc(F)c(C)cc2C1O
InChi:	InChI=1S/C21H23FN4O5S/c1-11-4-14-17(6-15(11)22)31-7-16(19(14)27)25-32(29,30)18-5-13(12(2)24-18)20(28)26-9-21(3,8-23)10-26/h4-6,16,19,24-25,27H,7,9-10H2,1-3H3/t16-,19+/m1/s1
Definition date:	2021-11-19
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3R,4S)-7-fluoro-4-hydroxy-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide

J3U

J3U
Name:	(6S,7R,9E)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid
Formula:	C16 H20 O4
SMILES:	O[CH](CCCCC(O)=O)[CH](O)CC=CC#CC#CC=C
InChi:	InChI=1S/C16H20O4/c1-2-3-4-5-6-7-8-11-14(17)15(18)12-9-10-13-16(19)20/h2,7-8,14-15,17-18H,1,9-13H2,(H,19,20)/b8-7+/t14-,15+/m1/s1
Definition date:	2021-04-01
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	(6~{S},7~{R},9~{E})-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid

J46

J46
Name:	4-bromanyl-N-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide
Formula:	C20 H16 Br2 N2 O3 S
SMILES:	Brc1ccc(NC(=O)c2ccc(Br)c(c2)[S](=O)(=O)NCc3ccccc3)cc1
InChi:	InChI=1S/C20H16Br2N2O3S/c21-16-7-9-17(10-8-16)24-20(25)15-6-11-18(22)19(12-15)28(26,27)23-13-14-4-2-1-3-5-14/h1-12,23H,13H2,(H,24,25)
Definition date:	2021-04-05
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	4-bromanyl-~{N}-(4-bromophenyl)-3-[(phenylmethyl)sulfamoyl]benzamide

J4R

J4R
Name:	1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1H-pyrrol-3-yl]ethanone
Formula:	C23 H27 N7 O
SMILES:	CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4[nH]c(C)c(C(C)=O)c4c5cnn(C)c5
InChi:	InChI=1S/C23H27N7O/c1-14-20(15(2)31)21(16-12-24-29(4)13-16)22(25-14)23-26-18-6-5-17(11-19(18)27-23)30-9-7-28(3)8-10-30/h5-6,11-13,25H,7-10H2,1-4H3,(H,26,27)
Definition date:	2021-04-06
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1~{H}-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone

J9O

J9O
Name:	2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
Formula:	C30 H31 Cl N4 O4
SMILES:	CCOc1ccccc1N2C(=O)c3ccccc3N=C2[CH](C)N4CCN(CC4)C(=O)COc5ccc(Cl)cc5
InChi:	InChI=1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3/t21-/m0/s1
Definition date:	2021-04-30
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	2-[(1~{S})-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one

1L3

1L3
Name:	Menaquinone-4
Formula:	C31 H40 O2
SMILES:	CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O
InChi:	InChI=1S/C31H40O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,12,14,16,18-20H,9-11,13,15,17,21H2,1-6H3/b23-14+,24-16+,25-20+
Synonyms:	vitamin K2
Definition date:	2021-07-02
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	2-methyl-3-[(2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene-1,4-dione

909

909
Name:	N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide
Formula:	C27 H30 N6 O2
SMILES:	CN1CCN(CC1)c2ccc3nc([nH]c3c2)c4[nH]c(C)c(C(C)=O)c4c5ccc(NC(C)=O)cc5
InChi:	InChI=1S/C27H30N6O2/c1-16-24(17(2)34)25(19-5-7-20(8-6-19)29-18(3)35)26(28-16)27-30-22-10-9-21(15-23(22)31-27)33-13-11-32(4)12-14-33/h5-10,15,28H,11-14H2,1-4H3,(H,29,35)(H,30,31)
Definition date:	2021-04-06
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	~{N}-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1~{H}-benzimidazol-2-yl]-1~{H}-pyrrol-3-yl]phenyl]ethanamide

966

966
Name:	[(1S,2R,3R,4R,5R,6S,8R,9S,13S,16S,17R,18R)-11-ethyl-5-hydroxy-6,16,18-trimethoxy-4-(4-methoxybenzoyl)-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-8-yl] acetate
Formula:	C35 H49 N O9
SMILES:	CCN1C[C]2(CC[CH](OC)[C]34[CH]5C[C]6(O)[CH](C[C](OC(C)=O)([CH]([CH](OC)[CH]23)[CH]14)[CH]5[CH]6C(=O)c7ccc(OC)cc7)OC)COC
InChi:	InChI=1S/C35H49NO9/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(45-19(2)37,27(31(35)36)29(44-7)30(32)35)25(22)26(33)28(38)20-9-11-21(41-4)12-10-20/h9-12,22-27,29-31,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26-,27+,29-,30-,31-,32+,33+,34-,35+/m1/s1
Synonyms:	Bulleyaconitine A
Definition date:	2022-01-06
Last modified:	2022-04-01
Release date:	2022-04-06

0K8

0K8
Name:	Ruthenium bis-(phenanthroline) 12,17-dihydro-naphthodipyridophenazine-12,17-dione
Formula:	C50 H28 N8 O2 Ru
SMILES:	[Ru++].O=C1c2ccccc2C(=O)c3c1ccc4nc5c6cccnc6c7ncccc7c5nc34.c8cnc9c(c8)ccc%10cccnc9%10.c%11cnc%12c(c%11)ccc%13cccnc%12%13
InChi:	InChI=1S/C26H12N4O2.2C12H8N2.Ru/c31-25-13-5-1-2-6-14(13)26(32)19-15(25)9-10-18-24(19)30-23-17-8-4-12-28-21(17)20-16(22(23)29-18)7-3-11-27-20
Synonyms:	Ruthenium polypridyl complex
Definition date:	2021-06-07
Last modified:	2022-04-01
Release date:	2022-04-06

LS6

LS6
Name:	(2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide
Formula:	C16 H22 N2 O2
SMILES:	ONC(=O)/C=C/C1CCN(CCc2ccccc2)CC1
InChi:	InChI=1S/C16H22N2O2/c19-16(17-20)7-6-15-9-12-18(13-10-15)11-8-14-4-2-1-3-5-14/h1-7,15,20H,8-13H2,(H,17,19)
Definition date:	2022-03-04
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	(2E)-N-hydroxy-3-[1-(2-phenylethyl)piperidin-4-yl]prop-2-enamide

LSL

LSL
Name:	N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide
Formula:	C13 H14 N2 O2 S
SMILES:	ONC(=O)c1ccc(CNCc2ccsc2)cc1
InChi:	InChI=1S/C13H14N2O2S/c16-13(15-17)12-3-1-10(2-4-12)7-14-8-11-5-6-18-9-11/h1-6,9,14,17H,7-8H2,(H,15,16)
Definition date:	2022-03-04
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	N-hydroxy-4-({[(thiophen-3-yl)methyl]amino}methyl)benzamide

I2V

I2V
Name:	(1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid
Formula:	C7 H12 F N O2
SMILES:	FCC1CC(CC1N)C(=O)O
InChi:	InChI=1S/C7H12FNO2/c8-3-5-1-4(7(10)11)2-6(5)9/h4-6H,1-3,9H2,(H,10,11)/t4-,5+,6-/m0/s1
Definition date:	2022-01-07
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	(1S,3S,4S)-3-amino-4-(fluoromethyl)cyclopentane-1-carboxylic acid

L8C

L8C
Name:	N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide
Formula:	C13 H19 N3 O2
SMILES:	ONC(=O)c1ccc(cc1)CN1CCN(C)CC1
InChi:	InChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)10-11-2-4-12(5-3-11)13(17)14-18/h2-5,18H,6-10H2,1H3,(H,14,17)
Definition date:	2022-02-28
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide

I0O

I0O
Name:	4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose
Formula:	C50 H84 N O7 P
SMILES:	OP(=O)(OC1OCC(N)C(O)C1O)OCC=C(/C)CCC=C(/C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C
InChi:	InChI=1S/C50H84NO7P/c1-38(2)19-11-20-39(3)21-12-22-40(4)23-13-24-41(5)25-14-26-42(6)27-15-28-43(7)29-16-30-44(8)31-17-32-45(9)33-18-34-46(10)35-36-57-59(54,55)58-50-49(53)48(52)47(51)37-56-50/h19,21,23,25,27,29,31,33,35,47-50,52-53H,11-18,20,22,24,26,28,30,32,34,36-37,51H2,1-10H3,(H,54,55)/b39-21+,40-23+,41-25+,42-27-,43-29-,44-31-,45-33+,46-35+/t47-,48-,49+,50-/m0/s1
Definition date:	2022-01-04
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	4-amino-4-deoxy-1-O-[(S)-hydroxy{[(2E,6E,10Z,14Z,18Z,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaen-1-yl]oxy}phosphoryl]-alpha-L-arabinopyranose

I1T

I1T
Name:	(1S,3R,4S)-3-formyl-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopentane-1-carboxylic acid
Formula:	C15 H21 N2 O8 P
SMILES:	O=P(O)(O)OCc1c[nH+]c(C)c([O-])c1C[NH2+]C1CC(CC1C=O)C([O-])=O
InChi:	InChI=1S/C15H21N2O8P/c1-8-14(19)12(11(4-16-8)7-25-26(22,23)24)5-17-13-3-9(15(20)21)2-10(13)6-18/h4,6,9-10,13,17,19H,2-3,5,7H2,1H3,(H,20,21)(H2,22,23,24)/t9-,10-,13-/m0/s1
Definition date:	2022-01-06
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	(1S,3R,4S)-3-formyl-4-[({2-methyl-3-oxido-5-[(phosphonooxy)methyl]pyridin-1-ium-4-yl}methyl)azaniumyl]cyclopentane-1-carboxylate

4R7

4R7
Name:	methyl 6-[4-[[N-[2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate
Formula:	C29 H36 N10 O7
SMILES:	COC(=O)c1cc(O)c2cc(NC(=O)NCCCCNC(=N)NCC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)ccc2c1
InChi:	InChI=1S/C29H36N10O7/c1-45-27(43)16-10-15-4-5-17(12-18(15)19(40)11-16)38-29(44)34-8-3-2-7-32-28(31)33-9-6-20-22(41)23(42)26(46-20)39-14-37-21-24(30)35-13-36-25(21)39/h4-5,10-14,20,22-23,26,40-42H,2-3,6-9H2,1H3,(H2,30,35,36)(H3,31,32,33)(H2,34,38,44)/t20-,22-,23-,26-/m1/s1
Definition date:	2021-07-07
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	methyl 6-[4-[[~{N}-[2-[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate

LTO

LTO
Name:	(2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide
Formula:	C18 H23 N3 O2
SMILES:	ONC(=O)/C=C/C1CCN(CCc2c[NH]c3ccccc23)CC1
InChi:	InChI=1S/C18H23N3O2/c22-18(20-23)6-5-14-7-10-21(11-8-14)12-9-15-13-19-17-4-2-1-3-16(15)17/h1-6,13-14,19,23H,7-12H2,(H,20,22)/b6-5+
Definition date:	2022-03-04
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	(2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide

5IK

5IK
Name:	4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one
Formula:	C26 H25 N O4
SMILES:	CN(Cc1ccccc1)Cc2ccc(COc3ccc4C(=CC(=O)Oc4c3)CO)cc2
InChi:	InChI=1S/C26H25NO4/c1-27(15-19-5-3-2-4-6-19)16-20-7-9-21(10-8-20)18-30-23-11-12-24-22(17-28)13-26(29)31-25(24)14-23/h2-14,28H,15-18H2,1H3
Definition date:	2021-07-12
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one

N03

N03
Name:	1-[5-(5-azanyl-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone
Formula:	C20 H18 N4 O
SMILES:	CC(=O)c1c(C)[nH]c(c2[nH]c3ccc(N)cc3n2)c1c4ccccc4
InChi:	InChI=1S/C20H18N4O/c1-11-17(12(2)25)18(13-6-4-3-5-7-13)19(22-11)20-23-15-9-8-14(21)10-16(15)24-20/h3-10,22H,21H2,1-2H3,(H,23,24)
Definition date:	2021-04-06
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	1-[5-(5-azanyl-1~{H}-benzimidazol-2-yl)-2-methyl-4-phenyl-1~{H}-pyrrol-3-yl]ethanone

2IX

2IX
Name:	N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide
Formula:	C28 H37 F2 N11 O4
SMILES:	C=CC(=O)N1CCC(CC1)C(=O)N(C)CC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1
InChi:	InChI=1S/C28H37F2N11O4/c1-3-20(42)38-6-4-18(5-7-38)25(44)37(2)17-21(43)39-8-10-40(11-9-39)27-34-24(19-16-32-26(31)33-22(19)23(29)30)35-28(36-27)41-12-14-45-15-13-41/h3,16,18,23H,1,4-15,17H2,2H3,(H2,31,32,33)
Definition date:	2021-06-30
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide

2Q7

2Q7
Name:	N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide
Formula:	C27 H35 F2 N11 O4
SMILES:	C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1
InChi:	InChI=1S/C27H35F2N11O4/c1-2-19(41)37-5-3-17(4-6-37)24(43)31-16-20(42)38-7-9-39(10-8-38)26-34-23(18-15-32-25(30)33-21(18)22(28)29)35-27(36-26)40-11-13-44-14-12-40/h2,15,17,22H,1,3-14,16H2,(H,31,43)(H2,30,32,33)
Definition date:	2021-06-30
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide

06D

06D
Name:	1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
Formula:	C14 H19 N O2
SMILES:	CCC(=O)N1CCC[CH]1c2ccc(OC)cc2
InChi:	InChI=1S/C14H19NO2/c1-3-14(16)15-10-4-5-13(15)11-6-8-12(17-2)9-7-11/h6-9,13H,3-5,10H2,1-2H3/t13-/m0/s1
Definition date:	2021-06-03
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one

7XB

7XB
Name:	2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide
Formula:	C21 H18 F5 N5 O4
SMILES:	CNC(=O)CN1C(=O)N=C(Nc2ccc(OC(F)F)cc2C)N(Cc3cc(F)c(F)c(F)c3)C1=O
InChi:	InChI=1S/C21H18F5N5O4/c1-10-5-12(35-18(25)26)3-4-15(10)28-19-29-20(33)31(9-16(32)27-2)21(34)30(19)8-11-6-13(22)17(24)14(23)7-11/h3-7,18H,8-9H2,1-2H3,(H,27,32)(H,28,29,33)
Definition date:	2021-11-01
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-~{N}-methyl-ethanamide

7YY

7YY
Name:	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Formula:	C22 H17 Cl F3 N9 O2
SMILES:	Cn1cnc(CN2C(=O)N=C(Nc3cc4cn(C)nc4cc3Cl)N(Cc5cc(F)c(F)cc5F)C2=O)n1
InChi:	InChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)
Definition date:	2021-11-04
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione

BQ6

BQ6
Name:	4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide
Formula:	C21 H23 F N4 O4 S
SMILES:	N#CC1(C)CN(C1)C(=O)c1cc([NH]c1C)S(=O)(=O)NC1Cc2cc(C)c(F)cc2OC1
InChi:	InChI=1S/C21H23FN4O4S/c1-12-4-14-5-15(8-30-18(14)7-17(12)22)25-31(28,29)19-6-16(13(2)24-19)20(27)26-10-21(3,9-23)11-26/h4,6-7,15,24-25H,5,8,10-11H2,1-3H3/t15-/m0/s1
Definition date:	2021-11-18
Last modified:	2022-04-01
Release date:	2022-04-06
Identifier:	4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide

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