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PDB Info pages Status search Chemie search: 44311 results BIRD

XBY

XBY
Name:	3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide
Formula:	C20 H20 F3 N3 O2
SMILES:	c3cc(Cc2c(c(C(NC(c1cc(C)on1)C)=O)nc2)C)ccc3C(F)(F)F
InChi:	InChI=1S/C20H20F3N3O2/c1-11-8-17(26-28-11)13(3)25-19(27)18-12(2)15(10-24-18)9-14-4-6-16(7-5-14)20(21,22)23/h4-8,10,13,24H,9H2,1-3H3,(H,25,27)/t13-/m1/s1
Definition date:	2020-12-09
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide

XC7

XC7
Name:	3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide
Formula:	C19 H19 F3 N6 O
SMILES:	c1nc(C(F)(F)F)ccc1C2(CC2)c3cnc(c3C)C(=O)NC(c4ncnn4)C
InChi:	InChI=1S/C19H19F3N6O/c1-10-13(8-24-15(10)17(29)27-11(2)16-25-9-26-28-16)18(5-6-18)12-3-4-14(23-7-12)19(20,21)22/h3-4,7-9,11,24H,5-6H2,1-2H3,(H,27,29)(H,25,26,28)/t11-/m1/s1
Definition date:	2020-12-10
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide

XCD

XCD
Name:	3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide
Formula:	C21 H19 F3 N4 O2
SMILES:	Cc4cc(C(NC(c3c(c(c1c2c(nc1)cc(cc2)C(F)(F)F)cn3)C)=O)C)no4
InChi:	InChI=1S/C21H19F3N4O2/c1-10-6-17(28-30-10)12(3)27-20(29)19-11(2)15(8-26-19)16-9-25-18-7-13(21(22,23)24)4-5-14(16)18/h4-9,12,25-26H,1-3H3,(H,27,29)/t12-/m1/s1
Definition date:	2020-12-10
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide

XCM

XCM
Name:	3-methyl-N-[(1R)-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide
Formula:	C21 H22 F3 N5 O
SMILES:	Cc4nnc(C(C)NC(c1c(c(cn1)C2(CC2)c3ccc(C(F)(F)F)nc3)C)=O)c4
InChi:	InChI=1S/C21H22F3N5O/c1-11-8-16(29-28-11)13(3)27-19(30)18-12(2)15(10-26-18)20(6-7-20)14-4-5-17(25-9-14)21(22,23)24/h4-5,8-10,13,26H,6-7H2,1-3H3,(H,27,30)(H,28,29)/t13-/m1/s1
Definition date:	2020-12-11
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	3-methyl-N-[(1R)-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide

XCV

XCV
Name:	N-[(1R)-1-(5-cyano-1H-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide
Formula:	C21 H19 F3 N6 O
SMILES:	c1(nnc(c1)C(NC(c2c(c(cn2)C4(c3cnc(cc3)C(F)(F)F)CC4)C)=O)C)C#N
InChi:	InChI=1S/C21H19F3N6O/c1-11-15(20(5-6-20)13-3-4-17(26-9-13)21(22,23)24)10-27-18(11)19(31)28-12(2)16-7-14(8-25)29-30-16/h3-4,7,9-10,12,27H,5-6H2,1-2H3,(H,28,31)(H,29,30)/t12-/m1/s1
Definition date:	2020-12-11
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	N-[(1R)-1-(5-cyano-1H-pyrazol-3-yl)ethyl]-3-methyl-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide

VP7

VP7
Name:	4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol
Formula:	C20 H20 N4 O
SMILES:	n1cc2c(nc1N)c3c(CCC2)nc4c3cc(C#CC(C)(C)O)cc4
InChi:	InChI=1S/C20H20N4O/c1-20(2,25)9-8-12-6-7-15-14(10-12)17-16(23-15)5-3-4-13-11-22-19(21)24-18(13)17/h6-7,10-11,23,25H,3-5H2,1-2H3,(H2,21,22,24)
Definition date:	2020-08-31
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	4-(2-amino-5,6,7,8-tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-b]indol-11-yl)-2-methylbut-3-yn-2-ol

XE7

XE7
Name:	3-{(1R)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrrole-2-carbonyl)amino]ethyl}-1H-pyrazole-5-carboxamide
Formula:	C19 H19 F3 N6 O2
SMILES:	c1cc(C(F)(F)F)ncc1Cc3cnc(C(NC(C)c2cc(nn2)C(N)=O)=O)c3C
InChi:	InChI=1S/C19H19F3N6O2/c1-9-12(5-11-3-4-15(24-7-11)19(20,21)22)8-25-16(9)18(30)26-10(2)13-6-14(17(23)29)28-27-13/h3-4,6-8,10,25H,5H2,1-2H3,(H2,23,29)(H,26,30)(H,27,28)/t10-/m1/s1
Definition date:	2020-12-14
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	3-{(1R)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrrole-2-carbonyl)amino]ethyl}-1H-pyrazole-5-carboxamide

Y7V

Y7V
Name:	1-fluoranyl-3-iodanyl-benzene
Formula:	C6 H4 F I
SMILES:	Fc1cccc(I)c1
InChi:	InChI=1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H
Definition date:	2021-02-10
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	1-fluoranyl-3-iodanyl-benzene

Y84

Y84
Name:	1-fluoranylnaphthalene
Formula:	C10 H7 F
SMILES:	Fc1cccc2ccccc12
InChi:	InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
Definition date:	2021-02-10
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	1-fluoranylnaphthalene

Y87

Y87
Name:	1-bromanyl-4-fluoranyl-benzene
Formula:	C6 H4 Br F
SMILES:	Fc1ccc(Br)cc1
InChi:	InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H
Definition date:	2021-02-10
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	1-bromanyl-4-fluoranyl-benzene

Y8D

Y8D
Name:	1-fluoranyl-4-iodanyl-benzene
Formula:	C6 H4 F I
SMILES:	Fc1ccc(I)cc1
InChi:	InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H
Definition date:	2021-02-10
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	1-fluoranyl-4-iodanyl-benzene

Y8M

Y8M
Name:	4-(3-phenylpropyl)aniline
Formula:	C15 H17 N
SMILES:	Nc1ccc(CCCc2ccccc2)cc1
InChi:	InChI=1S/C15H17N/c16-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8,16H2
Definition date:	2021-02-10
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	4-(3-phenylpropyl)aniline

VSY

VSY
Name:	(3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol
Formula:	C16 H16 N6 O
SMILES:	Nc3nccc(n2c1cc(C#CC(C)(O)CC)ncc1cn2)n3
InChi:	InChI=1S/C16H16N6O/c1-3-16(2,23)6-4-12-8-13-11(9-19-12)10-20-22(13)14-5-7-18-15(17)21-14/h5,7-10,23H,3H2,1-2H3,(H2,17,18,21)/t16-/m0/s1
Definition date:	2020-09-11
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	(3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol

NY3

NY3
Name:	2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate
Formula:	C27 H30 N4 O4
SMILES:	CCN(CC)c1ccc2C(=C(CCOC(=O)NCc3cccc(c3)c4[nH]cnc4)C(=O)Oc2c1)C
InChi:	InChI=1S/C27H30N4O4/c1-4-31(5-2)21-9-10-22-18(3)23(26(32)35-25(22)14-21)11-12-34-27(33)29-15-19-7-6-8-20(13-19)24-16-28-17-30-24/h6-10,13-14,16-17H,4-5,11-12,15H2,1-3H3,(H,28,30)(H,29,33)
Definition date:	2021-02-09
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate

NY6

NY6
Name:	3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Formula:	C27 H32 N6 O5
SMILES:	CCN(CC)c1ccc2C(=C(CCN3C(=O)NC4(CCN(CC4)C(=O)c5[nH]cnc5)C3=O)C(=O)Oc2c1)C
InChi:	InChI=1S/C27H32N6O5/c1-4-31(5-2)18-6-7-19-17(3)20(24(35)38-22(19)14-18)8-11-33-25(36)27(30-26(33)37)9-12-32(13-10-27)23(34)21-15-28-16-29-21/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,28,29)(H,30,37)
Definition date:	2021-02-09
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

NYO

NYO
Name:	(5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
Formula:	C26 H30 N6 O5
SMILES:	CCN(CC)c1ccc2C(=C(CCN3C(=O)N[C]4(CCN(C4)C(=O)c5c[nH]cn5)C3=O)C(=O)Oc2c1)C
InChi:	InChI=1S/C26H30N6O5/c1-4-30(5-2)17-6-7-18-16(3)19(23(34)37-21(18)12-17)8-10-32-24(35)26(29-25(32)36)9-11-31(14-26)22(33)20-13-27-15-28-20/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,27,28)(H,29,36)/t26-/m1/s1
Definition date:	2021-02-09
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	(5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

I33

I33
Name:	7-chloro-N-(quinuclidin-3-yl)benzo[b]thiophene-2-carboxamide
Formula:	C16 H17 Cl N2 O S
SMILES:	Clc1cccc2cc(sc12)C(=O)N[CH]3CN4CCC3CC4
InChi:	InChI=1S/C16H17ClN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/m0/s1
Definition date:	2021-04-09
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	~{N}-[(3~{R})-1-azabicyclo[2.2.2]octan-3-yl]-7-chloranyl-1-benzothiophene-2-carboxamide

I34

I34
Name:	N-(5-Chloro-2,4-dimethoxyphenyl)-N'-(5-methyl-3-isoxazolyl)-urea
Formula:	C13 H14 Cl N3 O4
SMILES:	COc1cc(OC)c(NC(=O)Nc2cc(C)on2)cc1Cl
InChi:	InChI=1S/C13H14ClN3O4/c1-7-4-12(17-21-7)16-13(18)15-9-5-8(14)10(19-2)6-11(9)20-3/h4-6H,1-3H3,(H2,15,16,17,18)
Definition date:	2021-04-09
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	1-(5-chloranyl-2,4-dimethoxy-phenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea

E5C

E5C
Name:	(3R)-3-[[(3S)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
Formula:	C17 H23 N O4
SMILES:	CC[CH]1CCCN(C1)C[CH]2Cc3cc(O)cc(O)c3C(=O)O2
InChi:	InChI=1S/C17H23NO4/c1-2-11-4-3-5-18(9-11)10-14-7-12-6-13(19)8-15(20)16(12)17(21)22-14/h6,8,11,14,19-20H,2-5,7,9-10H2,1H3/t11-,14+/m0/s1
Definition date:	2019-10-17
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	(3~{R})-3-[[(3~{S})-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one

E5R

E5R
Name:	(3R)-3-[[(3R)-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
Formula:	C16 H21 N O4
SMILES:	C[CH]1CCCN(C1)C[CH]2Cc3cc(O)cc(O)c3C(=O)O2
InChi:	InChI=1S/C16H21NO4/c1-10-3-2-4-17(8-10)9-13-6-11-5-12(18)7-14(19)15(11)16(20)21-13/h5,7,10,13,18-19H,2-4,6,8-9H2,1H3/t10-,13-/m1/s1
Definition date:	2019-10-21
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	(3~{R})-3-[[(3~{R})-3-methylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one

FXK

FXK
Name:	1~{H}-indol-3-ylmethanol
Formula:	C9 H9 N O
SMILES:	OCc1c[nH]c2ccccc12
InChi:	InChI=1S/C9H9NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-5,10-11H,6H2
Definition date:	2018-08-13
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	1~{H}-indol-3-ylmethanol

QN5

QN5
Name:	2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid
Formula:	C11 H11 N O2
SMILES:	Cc1[nH]c2ccccc2c1CC(O)=O
InChi:	InChI=1S/C11H11NO2/c1-7-9(6-11(13)14)8-4-2-3-5-10(8)12-7/h2-5,12H,6H2,1H3,(H,13,14)
Synonyms:	2-Methylindole-3-acetic acid
Definition date:	2020-07-08
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid

M8T

M8T
Name:	2'-fluoro-,3',3'-c-di-AMP
Formula:	C20 H22 F2 N10 O10 P2
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7c(N)ncnc67
InChi:	InChI=1S/C20H22F2N10O10P2/c21-9-13-7(39-19(9)31-5-29-11-15(23)25-3-27-17(11)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(10(14)22)32-6-30-12-16(24)26-4-28-18(12)32/h3-10,13-14,19-20H,1-2H2,(H,33,34)(H,35,36)(H2,23,25,27)(H2,24,26,28)/t7-,8-,9-,10-,13-,14-,19-,20-/m1/s1
Definition date:	2019-10-07
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(6-aminopurin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]purin-6-amine

SJN

SJN
Name:	4-Hydroxy-7-methyl-1,8-naphthyridine-3-carboxylic acid
Formula:	C10 H8 N2 O3
SMILES:	Cc1ccc2C(=O)C(=CNc2n1)C(O)=O
InChi:	InChI=1S/C10H8N2O3/c1-5-2-3-6-8(13)7(10(14)15)4-11-9(6)12-5/h2-4H,1H3,(H,14,15)(H,11,12,13)
Synonyms:	7-methyl-4-oxidanylidene-3~{H}-1,8-naphthyridine-3-carboxylic acid
Definition date:	2020-11-18
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	7-methyl-4-oxidanylidene-1~{H}-1,8-naphthyridine-3-carboxylic acid

Q4H

Q4H
Name:	4-azanylpyrimidine-5-carbonitrile
Formula:	C5 H4 N4
SMILES:	Nc1ncncc1C#N
InChi:	InChI=1S/C5H4N4/c6-1-4-2-8-3-9-5(4)7/h2-3H,(H2,7,8,9)
Definition date:	2020-05-11
Last modified:	2021-05-14
Release date:	2021-05-19
Identifier:	4-azanylpyrimidine-5-carbonitrile

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