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PDB Info pages Status search Chemie search: 4735 results BIRD

7RW

7RW
Name:	N-(3-chloropyridin-4-yl)-2-(3-(cyclopropylmethyl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
Formula:	C17 H17 Cl N6 O2
SMILES:	Clc1cnccc1NC(=O)Cn1ccc2c1nc(nc2O)NCC1CC1
InChi:	InChI=1S/C17H17ClN6O2/c18-12-8-19-5-3-13(12)21-14(25)9-24-6-4-11-15(24)22-17(23-16(11)26)20-7-10-1-2-10/h3-6,8,10H,1-2,7,9H2,(H,19,21,25)(H2,20,22,23,26)
Definition date:	2021-08-19
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	N-(3-chloropyridin-4-yl)-2-{2-[(cyclopropylmethyl)amino]-4-hydroxy-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide

7S0

7S0
Name:	N-(3-chloropyridin-4-yl)-2-(2-{[(2,4-dimethoxyphenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide
Formula:	C22 H21 Cl N6 O4
SMILES:	Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc21)NCc1ccc(OC)cc1OC
InChi:	InChI=1S/C22H21ClN6O4/c1-32-14-4-3-13(18(9-14)33-2)10-25-22-27-20-15(21(31)28-22)6-8-29(20)12-19(30)26-17-5-7-24-11-16(17)23/h3-9,11H,10,12H2,1-2H3,(H,24,26,30)(H2,25,27,28,31)
Definition date:	2021-08-19
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	N-(3-chloropyridin-4-yl)-2-(2-{[(2,4-dimethoxyphenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide

7S5

7S5
Name:	2-[2-(benzylamino)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide
Formula:	C20 H17 Cl N6 O2
SMILES:	Clc1cnccc1NC(=O)Cn1ccc2C(=O)NC(=Nc21)NCc1ccccc1
InChi:	InChI=1S/C20H17ClN6O2/c21-15-11-22-8-6-16(15)24-17(28)12-27-9-7-14-18(27)25-20(26-19(14)29)23-10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,22,24,28)(H2,23,25,26,29)
Definition date:	2021-08-19
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	2-[2-(benzylamino)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide

828

828
Name:	N-(3-chloropyridin-4-yl)-2-{3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-5-[(E)-2-sulfamoylethenyl]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide
Formula:	C22 H19 Cl N8 O4 S
SMILES:	Cn1cc(C#CCN2C=Nc3n(CC(=O)Nc4ccncc4Cl)cc(/C=C/S(N)(=O)=O)c3C2=O)cn1
InChi:	InChI=1S/C22H19ClN8O4S/c1-29-11-15(9-27-29)3-2-7-30-14-26-21-20(22(30)33)16(5-8-36(24,34)35)12-31(21)13-19(32)28-18-4-6-25-10-17(18)23/h4-6,8-12,14H,7,13H2,1H3,(H2,24,34,35)(H,25,28,32)/b8-5+
Definition date:	2021-08-19
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	N-(3-chloropyridin-4-yl)-2-{3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-5-[(E)-2-sulfamoylethenyl]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide

C0C

C0C
Name:	1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide
Formula:	C26 H30 Cl N3 O3
SMILES:	O=C(NCc1cccc(c1)C(=O)NC)C1CCCN1C(=O)C1(CCCC1)c1ccc(Cl)cc1
InChi:	InChI=1S/C26H30ClN3O3/c1-28-23(31)19-7-4-6-18(16-19)17-29-24(32)22-8-5-15-30(22)25(33)26(13-2-3-14-26)20-9-11-21(27)12-10-20/h4,6-7,9-12,16,22H,2-3,5,8,13-15,17H2,1H3,(H,28,31)(H,29,32)/t22-/m1/s1
Definition date:	2021-11-18
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-{[3-(methylcarbamoyl)phenyl]methyl}-D-prolinamide

WXB

WXB
Name:	6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Formula:	C14 H16 N4 O3
SMILES:	O=C(c1cc2C(=O)NC(=O)Nc2nc1)N1CCCCCC1
InChi:	InChI=1S/C14H16N4O3/c19-12-10-7-9(8-15-11(10)16-14(21)17-12)13(20)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H2,15,16,17,19,21)
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione

WXK

WXK
Name:	N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide
Formula:	C11 H12 N4 O4 S
SMILES:	CC1(CC1)NS(=O)(=O)c1cnc2NC(=O)NC(=O)c2c1
InChi:	InChI=1S/C11H12N4O4S/c1-11(2-3-11)15-20(18,19)6-4-7-8(12-5-6)13-10(17)14-9(7)16/h4-5,15H,2-3H2,1H3,(H2,12,13,14,16,17)
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide

WXO

WXO
Name:	6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
Formula:	C13 H16 N4 O4 S
SMILES:	O=S(=O)(c1cc2C(=O)NC(=O)Nc2nc1)N1CCCCCC1
InChi:	InChI=1S/C13H16N4O4S/c18-12-10-7-9(8-14-11(10)15-13(19)16-12)22(20,21)17-5-3-1-2-4-6-17/h7-8H,1-6H2,(H2,14,15,16,18,19)
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione

WXX

WXX
Name:	3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide
Formula:	C18 H28 N6 O
SMILES:	CCC(CNC(=O)CCC1CCCCC1)Nc1ncnc2[NH]ncc12
InChi:	InChI=1S/C18H28N6O/c1-2-14(23-17-15-11-22-24-18(15)21-12-20-17)10-19-16(25)9-8-13-6-4-3-5-7-13/h11-14H,2-10H2,1H3,(H,19,25)(H2,20,21,22,23,24)/t14-/m1/s1
Definition date:	2022-10-21
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide

WYI

WYI
Name:	(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2R)-2-(aminomethyl)morpholine-4-carboxylate
Formula:	C27 H36 N10 O3
SMILES:	CC(C)(C)c1cc(nn1C)Nc1nc(nc2[NH]ncc12)NC(COC(=O)N1CC(CN)OCC1)c1ccccc1
InChi:	InChI=1S/C27H36N10O3/c1-27(2,3)21-12-22(35-36(21)4)31-23-19-14-29-34-24(19)33-25(32-23)30-20(17-8-6-5-7-9-17)16-40-26(38)37-10-11-39-18(13-28)15-37/h5-9,12,14,18,20H,10-11,13,15-16,28H2,1-4H3,(H3,29,30,31,32,33,34,35)/t18-,20+/m1/s1
Definition date:	2022-10-24
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2R)-2-(aminomethyl)morpholine-4-carboxylate

E3I

E3I
Name:	3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide
Formula:	C30 H29 Cl2 F3 N8 O5
SMILES:	NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCN(CC2C)C2COC2)c2N=C(N(C)C(=O)c12)C(F)(F)F
InChi:	InChI=1S/C30H29Cl2F3N8O5/c1-14-9-41(16-12-48-13-16)3-4-43(14)22-7-21(20(32)8-37-22)38-23(44)11-42-10-18(15-5-17(26(36)46)25(45)19(31)6-15)24-27(42)39-29(30(33,34)35)40(2)28(24)47/h5-8,10,14,16,45H,3-4,9,11-13H2,1-2H3,(H2,36,46)(H,37,38,44)/t14-/m0/s1
Definition date:	2021-12-01
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide

ETL

ETL
Name:	1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide
Formula:	C23 H24 Cl N5 O2
SMILES:	Clc1ccc(cc1)C1(CCCC1)C(=O)N1CCCC1C(=O)Nc1ccc2[NH]ncc2n1
InChi:	InChI=1S/C23H24ClN5O2/c24-16-7-5-15(6-8-16)23(11-1-2-12-23)22(31)29-13-3-4-19(29)21(30)27-20-10-9-17-18(26-20)14-25-28-17/h5-10,14,19H,1-4,11-13H2,(H,25,28)(H,26,27,30)/t19-/m1/s1
Definition date:	2021-12-13
Last modified:	2022-11-04
Release date:	2022-11-09
Identifier:	1-[1-(4-chlorophenyl)cyclopentane-1-carbonyl]-N-1H-pyrazolo[4,3-b]pyridin-5-yl-D-prolinamide

JU0

JU0
Name:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(5-bromanylpyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
Formula:	C19 H16 Br F3 N4 O4 S
SMILES:	OC[CH]1O[CH](Sc2cncc(Br)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4
InChi:	InChI=1S/C19H16BrF3N4O4S/c20-9-3-10(5-24-4-9)32-19-18(30)16(17(29)14(7-28)31-19)27-6-13(25-26-27)8-1-11(21)15(23)12(22)2-8/h1-6,14,16-19,28-30H,7H2/t14-,16+,17+,18-,19-/m1/s1
Synonyms:	5-Bromopyridin-3-yl 3-deoxy-3-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-alpha-D-galactopyranoside
Definition date:	2022-05-09
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(5-bromanylpyridin-3-yl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol

9XL

9XL
Name:	(2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid
Formula:	C26 H29 Cl N6 O5
SMILES:	NC(=O)c1cccc(c1)C#CCN(CCC(N)C(=O)O)CC1CC(C(O)C1O)n1ccc2c1ncnc2Cl
InChi:	InChI=1S/C26H29ClN6O5/c27-23-18-6-10-33(25(18)31-14-30-23)20-12-17(21(34)22(20)35)13-32(9-7-19(28)26(37)38)8-2-4-15-3-1-5-16(11-15)24(29)36/h1,3,5-6,10-11,14,17,19-22,34-35H,7-9,12-13,28H2,(H2,29,36)(H,37,38)/t17-,19+,20-,21-,22+/m1/s1
Definition date:	2021-11-01
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	(2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid

VB9

VB9
Name:	3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Formula:	C10 H13 N3 O S2
SMILES:	CN(C)CCN1C(=O)c2sccc2NC1=S
InChi:	InChI=1S/C10H13N3OS2/c1-12(2)4-5-13-9(14)8-7(3-6-16-8)11-10(13)15/h3,6H,4-5H2,1-2H3,(H,11,15)
Definition date:	2022-08-29
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	3-[2-(dimethylamino)ethyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one

W2O

W2O
Name:	D-phenylalaninamide
Formula:	C9 H12 N2 O
SMILES:	NC(Cc1ccccc1)C(N)=O
InChi:	InChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m1/s1
Definition date:	2022-09-02
Last modified:	2022-10-28
Release date:	2022-11-02
Identifier:	D-phenylalaninamide

CGI

CGI
Name:	~{N}-[4-(4-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:	C18 H13 Cl N4 O
SMILES:	Clc1ccc(Oc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
InChi:	InChI=1S/C18H13ClN4O/c19-12-1-5-14(6-2-12)24-15-7-3-13(4-8-15)23-18-16-9-10-20-17(16)21-11-22-18/h1-11H,(H2,20,21,22,23)
Definition date:	2021-12-14
Last modified:	2022-10-21
Release date:	2022-10-26
Identifier:	~{N}-[4-(4-chloranylphenoxy)phenyl]-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine

KYO

KYO
Name:	(9S,14S,15R,16S,17R,18R,19R,20S,21S,25R)-5,6,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-10,26-dioxo-1,3,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl benzoate
Formula:	C51 H72 N4 O11
SMILES:	CC(C)CN1CCC2(CC1)Nc1c(N2)c2c3C(=O)C4(C)Oc3c(C)c(O)c2c(O)c1NC(=O)C(C)CCCC(C)C(O)C(C)C(O)C(C)C(OC(=O)c1ccccc1)C(C)C(OC)CCO4
InChi:	InChI=1S/C51H72N4O11/c1-26(2)25-55-22-20-51(21-23-55)53-38-35-36-43(58)32(8)46-37(35)47(60)50(9,66-46)64-24-19-34(63-10)29(5)45(65-49(62)33-17-12-11-13-18-33)31(7)42(57)30(6)41(56)27(3)15-14-16-28(4)48(61)52-40(44(36)59)39(38)54-51/h11-13,17-18,26-31,34,41-42,45,53-54,56-59H,14-16,19-25H2,1-10H3,(H,52,61)/t27-,28+,29+,30+,31+,34-,41-,42+,45+,50-/m0/s1
Definition date:	2022-02-23
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	(9S,14S,15R,16S,17R,18R,19R,20S,21S,25R)-5,6,18,20-tetrahydroxy-14-methoxy-7,9,15,17,19,21,25-heptamethyl-1'-(2-methylpropyl)-10,26-dioxo-1,3,9,10-tetrahydrospiro[9,4-(epoxypentadecanoimino)furo[2',3':7,8]naphtho[1,2-d]imidazole-2,4'-piperidin]-16-yl benzoate

RT6

RT6
Name:	(1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside
Formula:	C19 H33 N O9
SMILES:	OCC1=CC(NC2CCCCC2)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O
InChi:	InChI=1S/C19H33NO9/c21-7-9-6-11(20-10-4-2-1-3-5-10)13(23)16(26)18(9)29-19-17(27)15(25)14(24)12(8-22)28-19/h6,10-27H,1-5,7-8H2/t11-,12+,13-,14+,15-,16+,17+,18+,19+/m0/s1
Definition date:	2022-05-02
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	(1R,4S,5S,6R)-4-(cyclohexylamino)-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside

DD0

DD0
Name:	2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one
Formula:	C14 H18 F2 N4 O3
SMILES:	COc1nc(N)nc2CN([CH]3[CH](O)CCCCC3(F)F)C(=O)c12
InChi:	InChI=1S/C14H18F2N4O3/c1-23-11-9-7(18-13(17)19-11)6-20(12(9)22)10-8(21)4-2-3-5-14(10,15)16/h8,10,21H,2-6H2,1H3,(H2,17,18,19)/t8-,10-/m0/s1
Definition date:	2021-12-14
Last modified:	2022-10-14
Release date:	2022-10-19
Identifier:	2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one

KWF

KWF
Name:	2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one
Formula:	C37 H35 N9 O13 P2
SMILES:	NC1=NC(=O)c2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccc(cc7)c8ccc9ccccc9c8)c%10c(N)ncnc6%10)c2N1
InChi:	InChI=1S/C37H35N9O13P2/c38-31-25-22(19-8-5-18(6-9-19)21-10-7-17-3-1-2-4-20(17)11-21)12-45(32(25)41-15-40-31)35-28(48)29-24(57-35)14-55-61(52,53)59-30-27(47)23(13-54-60(50,51)58-29)56-36(30)46-16-42-26-33(46)43-37(39)44-34(26)49/h1-12,15-16,23-24,27-30,35-36,47-48H,13-14H2,(H,50,51)(H,52,53)(H2,38,40,41)(H3,39,43,44,49)/t23-,24-,27-,28-,29-,30-,35-,36-/m1/s1
Synonyms:	2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one
Definition date:	2022-06-07
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-naphthalen-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one

KWO

KWO
Name:	2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one
Formula:	C33 H33 N9 O13 P2
SMILES:	NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccc(cc7)c8ccccc8)c9c(N)ncnc69
InChi:	InChI=1S/C33H33N9O13P2/c34-27-21-18(17-8-6-16(7-9-17)15-4-2-1-3-5-15)10-41(28(21)37-13-36-27)31-24(44)25-20(53-31)12-51-57(48,49)55-26-23(43)19(11-50-56(46,47)54-25)52-32(26)42-14-38-22-29(42)39-33(35)40-30(22)45/h1-10,13-14,19-20,23-26,31-32,43-44H,11-12H2,(H,46,47)(H,48,49)(H2,34,36,37)(H3,35,39,40,45)/t19-,20-,23-,24-,25-,26-,31-,32-/m1/s1
Synonyms:	2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one
Definition date:	2022-06-07
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-(4-phenylphenyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one

KXD

KXD
Name:	2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one
Formula:	C38 H37 N9 O14 P2
SMILES:	NC1=NC(=O)c2ncn([CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)O[CH]3[CH]4O)n6cc(c7ccc(COc8cccc9ccccc89)cc7)c%10c(N)ncnc6%10)c2N1
InChi:	InChI=1S/C38H37N9O14P2/c39-32-26-22(20-10-8-18(9-11-20)13-55-23-7-3-5-19-4-1-2-6-21(19)23)12-46(33(26)42-16-41-32)36-29(49)30-25(59-36)15-57-63(53,54)61-31-28(48)24(14-56-62(51,52)60-30)58-37(31)47-17-43-27-34(47)44-38(40)45-35(27)50/h1-12,16-17,24-25,28-31,36-37,48-49H,13-15H2,(H,51,52)(H,53,54)(H2,39,41,42)(H3,40,44,45,50)/t24-,25-,28-,29-,30-,31-,36-,37-/m1/s1
Definition date:	2022-06-07
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-[4-azanyl-5-[4-(naphthalen-1-yloxymethyl)phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-3~{H}-purin-6-one

IX5

IX5
Name:	1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine
Formula:	C21 H23 N7 O2
SMILES:	Cn1cc(nc1COc1nc(N2CCOCC2)c2cnn(C)c2n1)c1ccccc1
InChi:	InChI=1S/C21H23N7O2/c1-26-13-17(15-6-4-3-5-7-15)23-18(26)14-30-21-24-19-16(12-22-27(19)2)20(25-21)28-8-10-29-11-9-28/h3-7,12-13H,8-11,14H2,1-2H3
Definition date:	2022-02-01
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine

IYA

IYA
Name:	N-[3-(3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}propoxy)phenyl]acetamide
Formula:	C23 H20 F N3 O3 S
SMILES:	CC(=O)Nc1cccc(c1)OCCCOc1ncnc2scc(c12)c1ccc(F)cc1
InChi:	InChI=1S/C23H20FN3O3S/c1-15(28)27-18-4-2-5-19(12-18)29-10-3-11-30-22-21-20(13-31-23(21)26-14-25-22)16-6-8-17(24)9-7-16/h2,4-9,12-14H,3,10-11H2,1H3,(H,27,28)
Definition date:	2022-02-01
Last modified:	2022-10-07
Release date:	2022-10-12
Identifier:	N-[3-(3-{[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}propoxy)phenyl]acetamide

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