Chemie Search results for query - 일본 단백질구조 데이터 뱅크

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 35294 results BIRD

P7F

P7F
Name:	(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid
Formula:	C28 H30 N2 O6
SMILES:	CC[CH](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c3oc4ccccc4n3)c1)C(O)=O
InChi:	InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
Definition date:	2018-07-10
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	(2~{R})-2-[3-[[1,3-benzoxazol-2-yl-[3-(4-methoxyphenoxy)propyl]amino]methyl]phenoxy]butanoic acid

KRY

KRY
Name:	4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide
Formula:	C15 H11 F2 N3 O3 S
SMILES:	Fc1cc(F)ccc1N2C(N(C=C2)c3ccc(S(=O)(=O)N)cc3)=O
InChi:	InChI=1S/C15H11F2N3O3S/c16-10-1-6-14(13(17)9-10)20-8-7-19(15(20)21)11-2-4-12(5-3-11)24(18,22)23/h1-9H,(H2,18,22,23)
Definition date:	2019-01-10
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide

KSJ

KSJ
Name:	[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid
Formula:	C14 H16 O4
SMILES:	C1(CCCC1CC(O)=O)C(c2ccccc2O)=O
InChi:	InChI=1S/C14H16O4/c15-12-7-2-1-5-11(12)14(18)10-6-3-4-9(10)8-13(16)17/h1-2,5,7,9-10,15H,3-4,6,8H2,(H,16,17)/t9-,10+/m0/s1
Definition date:	2019-01-11
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid

KSP

KSP
Name:	[(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid
Formula:	C14 H16 O4
SMILES:	c1cccc(c1O)C(C2C(CCC2)CC(O)=O)=O
InChi:	InChI=1S/C14H16O4/c15-12-7-2-1-5-11(12)14(18)10-6-3-4-9(10)8-13(16)17/h1-2,5,7,9-10,15H,3-4,6,8H2,(H,16,17)/t9-,10+/m1/s1
Definition date:	2019-01-11
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	[(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid

HMW

HMW
Name:	3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
Formula:	C25 H23 F3 N8 O2
SMILES:	Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CC[CH](O)C4)C(=O)Nc5cccc(c5)C(F)(F)F
InChi:	InChI=1S/C25H23F3N8O2/c1-15-5-6-16(21(38)30-18-4-2-3-17(12-18)25(26,27)28)11-20(15)31-22-32-23(35-9-7-19(37)13-35)34-24(33-22)36-10-8-29-14-36/h2-6,8,10-12,14,19,37H,7,9,13H2,1H3,(H,30,38)(H,31,32,33,34)/t19-/m1/s1
Definition date:	2018-12-14
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide

HNZ

HNZ
Name:	3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
Formula:	C25 H24 F3 N9 O
SMILES:	Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCNCC4)C(=O)Nc5cccc(c5)C(F)(F)F
InChi:	InChI=1S/C25H24F3N9O/c1-16-5-6-17(21(38)31-19-4-2-3-18(14-19)25(26,27)28)13-20(16)32-22-33-23(36-10-7-29-8-11-36)35-24(34-22)37-12-9-30-15-37/h2-6,9,12-15,29H,7-8,10-11H2,1H3,(H,31,38)(H,32,33,34,35)
Definition date:	2018-12-14
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide

HO5

HO5
Name:	3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
Formula:	C25 H23 F3 N8 O2
SMILES:	Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CC[CH](O)C4)C(=O)Nc5cccc(c5)C(F)(F)F
InChi:	InChI=1S/C25H23F3N8O2/c1-15-5-6-16(21(38)30-18-4-2-3-17(12-18)25(26,27)28)11-20(15)31-22-32-23(35-9-7-19(37)13-35)34-24(33-22)36-10-8-29-14-36/h2-6,8,10-12,14,19,37H,7,9,13H2,1H3,(H,30,38)(H,31,32,33,34)/t19-/m0/s1
Definition date:	2018-12-14
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide

HO8

HO8
Name:	3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
Formula:	C25 H23 F3 N8 O2
SMILES:	Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCOCC4)C(=O)Nc5cccc(c5)C(F)(F)F
InChi:	InChI=1S/C25H23F3N8O2/c1-16-5-6-17(21(37)30-19-4-2-3-18(14-19)25(26,27)28)13-20(16)31-22-32-23(35-9-11-38-12-10-35)34-24(33-22)36-8-7-29-15-36/h2-8,13-15H,9-12H2,1H3,(H,30,37)(H,31,32,33,34)
Definition date:	2018-12-14
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide

HOK

HOK
Name:	3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
Formula:	C26 H25 F3 N8 O2
SMILES:	Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCC[CH](O)C4)C(=O)Nc5cccc(c5)C(F)(F)F
InChi:	InChI=1S/C26H25F3N8O2/c1-16-7-8-17(22(39)31-19-5-2-4-18(13-19)26(27,28)29)12-21(16)32-23-33-24(36-10-3-6-20(38)14-36)35-25(34-23)37-11-9-30-15-37/h2,4-5,7-9,11-13,15,20,38H,3,6,10,14H2,1H3,(H,31,39)(H,32,33,34,35)/t20-/m0/s1
Definition date:	2018-12-14
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide

HOT

HOT
Name:	3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
Formula:	C26 H25 F3 N8 O2
SMILES:	Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CCC(O)CC4)C(=O)Nc5cccc(c5)C(F)(F)F
InChi:	InChI=1S/C26H25F3N8O2/c1-16-5-6-17(22(39)31-19-4-2-3-18(14-19)26(27,28)29)13-21(16)32-23-33-24(36-10-7-20(38)8-11-36)35-25(34-23)37-12-9-30-15-37/h2-6,9,12-15,20,38H,7-8,10-11H2,1H3,(H,31,39)(H,32,33,34,35)
Definition date:	2018-12-14
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide

IHQ

IHQ
Name:	2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one
Formula:	C16 H20 I N O2
SMILES:	CCCCCCCC1=C(I)C(=O)c2ccccc2N1O
InChi:	InChI=1S/C16H20INO2/c1-2-3-4-5-6-11-14-15(17)16(19)12-9-7-8-10-13(12)18(14)20/h7-10,20H,2-6,11H2,1H3
Definition date:	2019-09-06
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	2-heptyl-3-iodanyl-1-oxidanyl-quinolin-4-one

BG9

BG9
Name:	(2E,2'E)-3,3'-(1,2-phenylene)di(prop-2-enoic acid)
Formula:	C12 H10 O4
SMILES:	c1ccc(c(c1)[C@H]=[C@H]C(O)=O)C=[C@H]C(O)=O
InChi:	InChI=1S/C12H10O4/c13-11(14)7-5-9-3-1-2-4-10(9)6-8-12(15)16/h1-8H,(H,13,14)(H,15,16)/b7-5+,8-6+
Definition date:	2019-01-31
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	(2E,2'E)-3,3'-(1,2-phenylene)di(prop-2-enoic acid)

C86

C86
Name:	N-[3-[(4S,6S)-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide
Formula:	C18 H16 F5 N5 O2 S
SMILES:	C[C]1(C[CH](SC(=N1)N)C(F)(F)F)c2cc(NC(=O)c3cnc(OCF)cn3)ccc2F
InChi:	InChI=1S/C18H16F5N5O2S/c1-17(5-13(18(21,22)23)31-16(24)28-17)10-4-9(2-3-11(10)20)27-15(29)12-6-26-14(7-25-12)30-8-19/h2-4,6-7,13H,5,8H2,1H3,(H2,24,28)(H,27,29)/t13-,17-/m0/s1
Definition date:	2019-04-12
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	~{N}-[3-[(4~{S},6~{S})-2-azanyl-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluoranyl-phenyl]-5-(fluoranylmethoxy)pyrazine-2-carboxamide

08A

08A
Name:	(3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid
Formula:	C29 H30 N4 O3
SMILES:	n5c4c(C)c(C(CC(O)=O)c2cc1CN(CCc1c(c2)C)C(=O)c3ccccc3)ccc4n(CC)n5
InChi:	InChI=1S/C29H30N4O3/c1-4-33-26-11-10-24(19(3)28(26)30-31-33)25(16-27(34)35)21-14-18(2)23-12-13-32(17-22(23)15-21)29(36)20-8-6-5-7-9-20/h5-11,14-15,25H,4,12-13,16-17H2,1-3H3,(H,34,35)/t25-/m0/s1
Definition date:	2019-08-12
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	(3S)-3-[2-(benzenecarbonyl)-5-methyl-1,2,3,4-tetrahydroisoquinolin-7-yl]-3-(1-ethyl-4-methyl-1H-benzotriazol-5-yl)propanoic acid

DVX

DVX
Name:	[(2R)-2-[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]-2-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate
Formula:	C33 H25 B Br F7 N4 O5
SMILES:	CC1=CC(=[N+]2C1=Cc3ccc(CCC(=O)OC[CH](Oc4ccc(F)c(C(N)=O)c4F)c5oc(Br)c(n5)c6ccc(cc6)C(F)(F)F)n3[B-]2(F)F)C
InChi:	InChI=1S/C33H25BBrF7N4O5/c1-16-13-17(2)45-23(16)14-21-8-7-20(46(21)34(45,41)42)9-12-26(47)49-15-25(50-24-11-10-22(36)27(28(24)37)31(43)48)32-44-29(30(35)51-32)18-3-5-19(6-4-18)33(38,39)40/h3-8,10-11,13-14,25H,9,12,15H2,1-2H3,(H2,43,48)/t25-/m1/s1
Definition date:	2019-09-10
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	[(2~{R})-2-[3-aminocarbonyl-2,4-bis(fluoranyl)phenoxy]-2-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethyl] 3-[2,2-bis(fluoranyl)-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.0^{3,7}]dodeca-1(12),4,6,8,10-pentaen-4-yl]propanoate

E4O

E4O
Name:	(2S,3R)-2-azanyl-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide
Formula:	C16 H18 Cl2 N4 O3
SMILES:	C[CH](O)[CH](N)C(=O)NCC=CCN1C=Nc2cc(Cl)c(Cl)cc2C1=O
InChi:	InChI=1S/C16H18Cl2N4O3/c1-9(23)14(19)15(24)20-4-2-3-5-22-8-21-13-7-12(18)11(17)6-10(13)16(22)25/h2-3,6-9,14,23H,4-5,19H2,1H3,(H,20,24)/b3-2+/t9-,14+/m1/s1
Definition date:	2019-10-10
Last modified:	2020-01-10
Release date:	2020-01-15
Identifier:	(2~{S},3~{R})-2-azanyl-~{N}-[(~{E})-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-3-oxidanyl-butanamide

HS4

HS4
Name:	N-oxidanyl-2-[(4-phenylphenyl)sulfonylamino]ethanamide
Formula:	C14 H14 N2 O4 S
SMILES:	O=NC(=O)CNS(=O)(=O)c2ccc(c1ccccc1)cc2
InChi:	InChI=1S/C14H14N2O4S/c17-14(16-18)10-15-21(19,20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,15,18H,10H2,(H,16,17)
Definition date:	2008-11-04
Last modified:	2020-01-07
Identifier:	N~2~-(biphenyl-4-ylsulfonyl)-N-oxoglycinamide

JT0

JT0
Name:	2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide
Formula:	C16 H19 Cl N2 O3 S
SMILES:	C(=O)(CCl)N(CCCOC)c2scc(c1ccc(cc1)OC)n2
InChi:	InChI=1S/C16H19ClN2O3S/c1-21-9-3-8-19(15(20)10-17)16-18-14(11-23-16)12-4-6-13(22-2)7-5-12/h4-7,11H,3,8-10H2,1-2H3
Definition date:	2019-07-10
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-methoxypropyl)acetamide

N2V

N2V
Name:	N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine
Formula:	C50 H47 Cl2 N3 O6
SMILES:	c2(ccc(OCc1cc(Cl)c(cc1)Cl)cc2)C7Oc6cc5CN(C(C(=O)NC(C(=O)O)Cc4ccc(c3c(c(C)ncc3)C)cc4)Cc5cc6OC7)C(c8ccccc8)CC
InChi:	InChI=1S/C50H47Cl2N3O6/c1-4-44(35-8-6-5-7-9-35)55-27-38-26-47-46(60-29-48(61-47)36-15-17-39(18-16-36)59-28-33-12-19-41(51)42(52)22-33)25-37(38)24-45(55)49(56)54-43(50(57)58)23-32-10-13-34(14-11-32)40-20-21-53-31(3)30(40)2/h5-22,25-26,43-45,48H,4,23-24,27-29H2,1-3H3,(H,54,56)(H,57,58)/t43-,44-,45-,48+/m0/s1
Definition date:	2019-05-01
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	N-{(3S,8S)-3-{4-[(3,4-dichlorophenyl)methoxy]phenyl}-7-[(1S)-1-phenylpropyl]-2,3,6,7,8,9-hexahydro[1,4]dioxino[2,3-g]isoquinoline-8-carbonyl}-4-(2,3-dimethylpyridin-4-yl)-L-phenylalanine

KJH

KJH
Name:	1-methylidenenaphthalen-2-one
Formula:	C11 H8 O
SMILES:	C=C1C(=O)C=Cc2ccccc12
InChi:	InChI=1S/C11H8O/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-7H,1H2
Definition date:	2019-05-24
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	1-methylidenenaphthalen-2-one

SFH

SFH
Name:	5'-O-[(pyridine-3-carbonyl)sulfamoyl]adenosine
Formula:	C16 H17 N7 O7 S
SMILES:	C3(n1c2c(nc1)c(N)ncn2)OC(C(C3O)O)COS(NC(c4cnccc4)=O)(=O)=O
InChi:	InChI=1S/C16H17N7O7S/c17-13-10-14(20-6-19-13)23(7-21-10)16-12(25)11(24)9(30-16)5-29-31(27,28)22-15(26)8-2-1-3-18-4-8/h1-4,6-7,9,11-12,16,24-25H,5H2,(H,22,26)(H2,17,19,20)/t9-,11-,12-,16-/m1/s1
Definition date:	2019-10-09
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	5'-O-[(pyridine-3-carbonyl)sulfamoyl]adenosine

LMY

LMY
Name:	~{N}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide
Formula:	C32 H35 F3 N8 O S
SMILES:	CNc1nc(NC2CCN(CC2)Cc3ccc4n(CC56CC(C5)(C6)NC=O)c(cc4c3C)C#N)c7cc(CC(F)(F)F)sc7n1
InChi:	InChI=1S/C32H35F3N8OS/c1-19-20(3-4-26-24(19)9-22(12-36)43(26)17-30-14-31(15-30,16-30)38-18-44)13-42-7-5-21(6-8-42)39-27-25-10-23(11-32(33,34)35)45-28(25)41-29(37-2)40-27/h3-4,9-10,18,21H,5-8,11,13-17H2,1-2H3,(H,38,44)(H2,37,39,40,41)/t30-,31+
Definition date:	2019-03-04
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	~{N}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide

EGE

EGE
Name:	4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid
Formula:	C18 H15 N5 O5 S
SMILES:	Nc1cc(O)c(cc1N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3)C(O)=O
InChi:	InChI=1S/C18H15N5O5S/c19-14-10-16(24)13(18(25)26)9-15(14)22-21-11-4-6-12(7-5-11)29(27,28)23-17-3-1-2-8-20-17/h1-10,24H,19H2,(H,20,23)(H,25,26)/b22-21+
Definition date:	2018-03-18
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	4-azanyl-2-oxidanyl-5-[(~{E})-[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]benzoic acid

EGH

EGH
Name:	(4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one
Formula:	C18 H17 Br F N O4
SMILES:	COc1cc2NC(=O)C[CH](c3cc(Br)ccc3F)c2c(OC)c1OC
InChi:	InChI=1S/C18H17BrFNO4/c1-23-14-8-13-16(18(25-3)17(14)24-2)11(7-15(22)21-13)10-6-9(19)4-5-12(10)20/h4-6,8,11H,7H2,1-3H3,(H,21,22)/t11-/m0/s1
Definition date:	2018-03-18
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	(4~{R})-4-(5-bromanyl-2-fluoranyl-phenyl)-5,6,7-trimethoxy-3,4-dihydro-1~{H}-quinolin-2-one

EGN

EGN
Name:	4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one
Formula:	C23 H32 N3 O2 S
SMILES:	CCN1C(=O)C=C(SCC(=O)N2CC[NH+](CC2)C3CCCCC3)c4ccccc14
InChi:	InChI=1S/C23H31N3O2S/c1-2-26-20-11-7-6-10-19(20)21(16-22(26)27)29-17-23(28)25-14-12-24(13-15-25)18-8-4-3-5-9-18/h6-7,10-11,16,18H,2-5,8-9,12-15,17H2,1H3/p+1
Definition date:	2018-03-19
Last modified:	2020-01-03
Release date:	2020-01-08
Identifier:	4-[2-(4-cyclohexylpiperazin-4-ium-1-yl)-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-quinolin-2-one

<707 708 709 710 711 712 713714715 716 717 718 719 720 721 722 >

223166

건을2024-07-31부터공개중

PDB statistics

PDBj update info

Contact PDBj

numon