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PDB Info pages Status search Chemie search: 39984 results BIRD

CZK

CZK
Name:	(2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
Formula:	C22 H31 N3 O4
SMILES:	COc1ccc(cc1OC2CCCC2)c3ccn(C[CH](O)CN4CCOCC4)n3
InChi:	InChI=1S/C22H31N3O4/c1-27-21-7-6-17(14-22(21)29-19-4-2-3-5-19)20-8-9-25(23-20)16-18(26)15-24-10-12-28-13-11-24/h6-9,14,18-19,26H,2-5,10-13,15-16H2,1H3/t18-/m0/s1
Definition date:	2017-12-13
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{S})-1-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol

CZQ

CZQ
Name:	2-[(~{E})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]ethanone
Formula:	C21 H28 F2 N2 O5
SMILES:	C[CH]1CN(C[CH](C)O1)C(=O)CON=Cc2ccc(OC(F)F)c(OC3CCCC3)c2
InChi:	InChI=1S/C21H28F2N2O5/c1-14-11-25(12-15(2)28-14)20(26)13-27-24-10-16-7-8-18(30-21(22)23)19(9-16)29-17-5-3-4-6-17/h7-10,14-15,17,21H,3-6,11-13H2,1-2H3/b24-10+/t14-,15-/m1/s1
Definition date:	2017-12-13
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	2-[(~{E})-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]methylideneamino]oxy-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]ethanone

CZT

CZT
Name:	(2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol
Formula:	C22 H34 N2 O5
SMILES:	COc1ccc(C=NOC[CH](O)CN2C[CH](C)O[CH](C)C2)cc1OC3CCCC3
InChi:	InChI=1S/C22H34N2O5/c1-16-12-24(13-17(2)28-16)14-19(25)15-27-23-11-18-8-9-21(26-3)22(10-18)29-20-6-4-5-7-20/h8-11,16-17,19-20,25H,4-7,12-15H2,1-3H3/b23-11+/t16-,17+,19-/m1/s1
Definition date:	2017-12-13
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{R})-1-[(~{E})-(3-cyclopentyloxy-4-methoxy-phenyl)methylideneamino]oxy-3-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]propan-2-ol

D08

D08
Name:	2-[(5~{R})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{N},~{N}-bis(2-hydroxyethyl)ethanamide
Formula:	C21 H30 N2 O6
SMILES:	COc1ccc(cc1OC2CCCC2)C3=NO[CH](CC(=O)N(CCO)CCO)C3
InChi:	InChI=1S/C21H30N2O6/c1-27-19-7-6-15(12-20(19)28-16-4-2-3-5-16)18-13-17(29-22-18)14-21(26)23(8-10-24)9-11-25/h6-7,12,16-17,24-25H,2-5,8-11,13-14H2,1H3/t17-/m1/s1
Definition date:	2017-12-13
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	2-[(5~{R})-3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,5-dihydro-1,2-oxazol-5-yl]-~{N},~{N}-bis(2-hydroxyethyl)ethanamide

D0B

D0B
Name:	3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one
Formula:	C24 H33 N3 O4
SMILES:	COc1ccc(cc1OC2CCCC2)c3ccn(CCC(=O)N4C[CH](C)O[CH](C)C4)n3
InChi:	InChI=1S/C24H33N3O4/c1-17-15-26(16-18(2)30-17)24(28)11-13-27-12-10-21(25-27)19-8-9-22(29-3)23(14-19)31-20-6-4-5-7-20/h8-10,12,14,17-18,20H,4-7,11,13,15-16H2,1-3H3/t17-,18-/m1/s1
Definition date:	2017-12-13
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	3-[3-(3-cyclopentyloxy-4-methoxy-phenyl)pyrazol-1-yl]-1-[(2~{R},6~{R})-2,6-dimethylmorpholin-4-yl]propan-1-one

D3K

D3K
Name:	(2~{R})-2-[(~{R})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine
Formula:	C20 H25 N O2
SMILES:	COCCOc1ccccc1[CH]([CH]2CCCN2)c3ccccc3
InChi:	InChI=1S/C20H25NO2/c1-22-14-15-23-19-12-6-5-10-17(19)20(18-11-7-13-21-18)16-8-3-2-4-9-16/h2-6,8-10,12,18,20-21H,7,11,13-15H2,1H3/t18-,20-/m1/s1
Definition date:	2017-12-18
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{R})-2-[(~{R})-[2-(2-methoxyethoxy)phenyl]-phenyl-methyl]pyrrolidine

DZT

DZT
Name:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol
Formula:	C30 H46 O3
SMILES:	CCCCCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C30H46O3/c1-5-6-7-10-15-25(17-18-26-21-28(31)22-29(32)23(26)2)27-16-12-14-24(20-27)13-9-8-11-19-30(3,4)33/h12,14,16-18,20,28-29,31-33H,2,5-11,13,15,19,21-22H2,1,3-4H3/b25-17+,26-18-/t28-,29+/m1/s1
Definition date:	2018-02-06
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]non-2-enylidene]cyclohexane-1,3-diol

DZW

DZW
Name:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol
Formula:	C31 H48 O3
SMILES:	CCCCCCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C31H48O3/c1-5-6-7-8-11-16-26(18-19-27-22-29(32)23-30(33)24(27)2)28-17-13-15-25(21-28)14-10-9-12-20-31(3,4)34/h13,15,17-19,21,29-30,32-34H,2,5-12,14,16,20,22-23H2,1,3-4H3/b26-18+,27-19-/t29-,30+/m1/s1
Definition date:	2018-02-06
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]dec-2-enylidene]cyclohexane-1,3-diol

E05

E05
Name:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol
Formula:	C26 H38 O3
SMILES:	CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C26H38O3/c1-5-21(13-14-22-17-24(27)18-25(28)19(22)2)23-12-9-11-20(16-23)10-7-6-8-15-26(3,4)29/h9,11-14,16,24-25,27-29H,2,5-8,10,15,17-18H2,1,3-4H3/b21-13+,22-14-/t24-,25+/m1/s1
Definition date:	2018-02-07
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol

E0E

E0E
Name:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol
Formula:	C27 H40 O3
SMILES:	CCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C27H40O3/c1-5-10-22(14-15-23-18-25(28)19-26(29)20(23)2)24-13-9-12-21(17-24)11-7-6-8-16-27(3,4)30/h9,12-15,17,25-26,28-30H,2,5-8,10-11,16,18-19H2,1,3-4H3/b22-14+,23-15-/t25-,26+/m1/s1
Definition date:	2018-02-08
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hex-2-enylidene]cyclohexane-1,3-diol

E6W

E6W
Name:	2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one
Formula:	C16 H9 Br N2 O
SMILES:	Brc1[nH]c2c(ccc3C=NC(=O)c23)c1c4ccccc4
InChi:	InChI=1S/C16H9BrN2O/c17-15-12(9-4-2-1-3-5-9)11-7-6-10-8-18-16(20)13(10)14(11)19-15/h1-8,19H
Definition date:	2018-02-21
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	2-bromanyl-3-phenyl-1~{H}-pyrrolo[3,4-g]indol-8-one

LX3

LX3
Name:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol
Formula:	C28 H42 O3
SMILES:	CCCCC(=CC=C1C[CH](O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2
InChi:	InChI=1S/C28H42O3/c1-5-6-13-23(15-16-24-19-26(29)20-27(30)21(24)2)25-14-10-12-22(18-25)11-8-7-9-17-28(3,4)31/h10,12,14-16,18,26-27,29-31H,2,5-9,11,13,17,19-20H2,1,3-4H3/b23-15+,24-16-/t26-,27+/m1/s1
Definition date:	2018-02-06
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol

D3Q

D3Q
Name:	(2~{R})-2-[(~{R})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine
Formula:	C18 H21 N O
SMILES:	COc1cccc(c1)[CH]([CH]2CCCN2)c3ccccc3
InChi:	InChI=1S/C18H21NO/c1-20-16-10-5-9-15(13-16)18(17-11-6-12-19-17)14-7-3-2-4-8-14/h2-5,7-10,13,17-19H,6,11-12H2,1H3/t17-,18-/m1/s1
Definition date:	2017-12-18
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{R})-2-[(~{R})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine

D3W

D3W
Name:	(2~{R})-2-[(~{R})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine
Formula:	C18 H21 N O
SMILES:	COc1ccccc1[CH]([CH]2CCCN2)c3ccccc3
InChi:	InChI=1S/C18H21NO/c1-20-17-12-6-5-10-15(17)18(16-11-7-13-19-16)14-8-3-2-4-9-14/h2-6,8-10,12,16,18-19H,7,11,13H2,1H3/t16-,18-/m1/s1
Definition date:	2017-12-18
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{R})-2-[(~{R})-(2-methoxyphenyl)-phenyl-methyl]pyrrolidine

D4H

D4H
Name:	(2~{R})-2-[(~{S})-(3-methylphenyl)-phenyl-methyl]pyrrolidine
Formula:	C18 H21 N
SMILES:	Cc1cccc(c1)[CH]([CH]2CCCN2)c3ccccc3
InChi:	InChI=1S/C18H21N/c1-14-7-5-10-16(13-14)18(17-11-6-12-19-17)15-8-3-2-4-9-15/h2-5,7-10,13,17-19H,6,11-12H2,1H3/t17-,18+/m1/s1
Definition date:	2017-12-20
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{R})-2-[(~{S})-(3-methylphenyl)-phenyl-methyl]pyrrolidine

D4K

D4K
Name:	(2~{R})-2-[(~{S})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine
Formula:	C18 H21 N O
SMILES:	COc1cccc(c1)[CH]([CH]2CCCN2)c3ccccc3
InChi:	InChI=1S/C18H21NO/c1-20-16-10-5-9-15(13-16)18(17-11-6-12-19-17)14-7-3-2-4-8-14/h2-5,7-10,13,17-19H,6,11-12H2,1H3/t17-,18+/m1/s1
Definition date:	2017-12-20
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{R})-2-[(~{S})-(3-methoxyphenyl)-phenyl-methyl]pyrrolidine

D5N

D5N
Name:	(2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
Formula:	C22 H29 F2 N3 O4
SMILES:	O[CH](CN1CCOCC1)Cn2nccc2c3ccc(OC(F)F)c(OC4CCCC4)c3
InChi:	InChI=1S/C22H29F2N3O4/c23-22(24)31-20-6-5-16(13-21(20)30-18-3-1-2-4-18)19-7-8-25-27(19)15-17(28)14-26-9-11-29-12-10-26/h5-8,13,17-18,22,28H,1-4,9-12,14-15H2/t17-/m0/s1
Definition date:	2017-12-22
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{S})-1-[5-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol

DD5

DD5
Name:	(2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol
Formula:	C22 H29 F2 N3 O4
SMILES:	O[CH](CN1CCOCC1)Cn2ccc(n2)c3ccc(OC(F)F)c(OC4CCCC4)c3
InChi:	InChI=1S/C22H29F2N3O4/c23-22(24)31-20-6-5-16(13-21(20)30-18-3-1-2-4-18)19-7-8-27(25-19)15-17(28)14-26-9-11-29-12-10-26/h5-8,13,17-18,22,28H,1-4,9-12,14-15H2/t17-/m1/s1
Definition date:	2018-01-11
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	(2~{R})-1-[3-[4-[bis(fluoranyl)methoxy]-3-cyclopentyloxy-phenyl]pyrazol-1-yl]-3-morpholin-4-yl-propan-2-ol

P95

P95
Name:	~{N}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
Formula:	C16 H10 N6 O2 S2
SMILES:	O=C(Nc1sccc1C(=O)Nc2ncccn2)c3sc4ccncc4n3
InChi:	InChI=1S/C16H10N6O2S2/c23-12(22-16-18-4-1-5-19-16)9-3-7-25-14(9)21-13(24)15-20-10-8-17-6-2-11(10)26-15/h1-8H,(H,21,24)(H,18,19,22,23)
Definition date:	2017-07-10
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	~{N}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide

EZA

EZA
Name:	N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide
Formula:	C39 H52 F2 N6 O8
SMILES:	C(Cc1cc(F)cc(c1)F)(C(=O)NC2C(N5C(C(N4C(C(NC(C(N3C(C(OC2)=O)CC(C3)C)=O)C)=O)CCCC4)=O)CCC5)=O)NC(C=[C@H]CCCC)=O
InChi:	InChI=1S/C39H52F2N6O8/c1-4-5-6-7-13-33(48)43-28(19-25-17-26(40)20-27(41)18-25)34(49)44-29-22-55-39(54)32-16-23(2)21-47(32)36(51)24(3)42-35(50)30-11-8-9-14-45(30)38(53)31-12-10-15-46(31)37(29)52/h7,13,17-18,20,23-24,28-32H,4-6,8-12,14-16,19,21-22H2,1-3H3,(H,42,50)(H,43,48)(H,44,49)/b13-7+/t23-,24-,28+,29+,30+,31+,32+/m1/s1
Definition date:	2018-02-15
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	N-[(6aS,12S,15aS,17R,21R,23aS)-17,21-dimethyl-6,11,15,20,23-pentaoxooctadecahydro-2H,6H,11H,15H-pyrido[2,1-i]dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13]oxatetraazacyclohexadecin-12-yl]-3,5-difluoro-Nalpha-[(2E)-hept-2-enoyl]-L-phenylalaninamide

B2W

B2W
Name:	5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine
Formula:	C6 H7 F3 N2
SMILES:	FC(F)(F)C1=NCCNC=C1
InChi:	InChI=1S/C6H7F3N2/c7-6(8,9)5-1-2-10-3-4-11-5/h1-2,10H,3-4H2
Definition date:	2017-09-06
Last modified:	2018-05-11
Release date:	2018-05-16
Identifier:	5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine

FZJ

FZJ
Name:	3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
Formula:	C13 H13 N5 O2
SMILES:	c1nccc(n1)NC2=CC=C3C(=O)NC(N3C2=O)(C)C
InChi:	InChI=1S/C13H13N5O2/c1-13(2)17-11(19)9-4-3-8(12(20)18(9)13)16-10-5-6-14-7-15-10/h3-7H,1-2H3,(H,17,19)(H,14,15,16)
Definition date:	2018-04-30
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione

9K4

9K4
Name:	2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide
Formula:	C32 H52 F3 N5 O9
SMILES:	C(Cc1c(cc(c(F)c1)F)F)(N)CC(=O)N2CCN(CC(=O)NCCOCCOCCOCCOCCOCCOCCNC(C)=O)CC2
InChi:	InChI=1S/C32H52F3N5O9/c1-25(41)37-2-8-44-10-12-46-14-16-48-18-19-49-17-15-47-13-11-45-9-3-38-31(42)24-39-4-6-40(7-5-39)32(43)22-27(36)20-26-21-29(34)30(35)23-28(26)33/h21,23,27H,2-20,22,24,36H2,1H3,(H,37,41)(H,38,42)/t27-/m1/s1
Definition date:	2017-05-17
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	2-{4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]piperazin-1-yl}-N-(22-oxo-3,6,9,12,15,18-hexaoxa-21-azatricosan-1-yl)acetamide

9QV

9QV
Name:	uridine 2',5'-bis(dihydrogen phosphate)
Formula:	C9 H14 N2 O12 P2
SMILES:	O(P(O)(=O)O)CC1C(C(C(O1)N2C=CC(=O)NC2=O)OP(O)(O)=O)O
InChi:	InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(14)10-5)8-7(23-25(18,19)20)6(13)4(22-8)3-21-24(15,16)17/h1-2,4,6-8,13H,3H2,(H,10,12,14)(H2,15,16,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
Definition date:	2017-05-31
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	uridine 2',5'-bis(dihydrogen phosphate)

B6J

B6J
Name:	3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol
Formula:	C18 H14 N6 O2
SMILES:	c1c(cccc1c4c(c2cccc(O)c2)nc3c(c(nc(n3)N)N)n4)O
InChi:	InChI=1S/C18H14N6O2/c19-16-15-17(24-18(20)23-16)22-14(10-4-2-6-12(26)8-10)13(21-15)9-3-1-5-11(25)7-9/h1-8,25-26H,(H4,19,20,22,23,24)
Definition date:	2017-08-02
Last modified:	2018-05-04
Release date:	2018-05-09
Identifier:	3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol

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