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PDB Info pages Status search Chemie search: 44240 results BIRD

RLC

RLC
Name:	(2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
Formula:	C24 H28 F N7 O
SMILES:	CC[CH](CO)Nc1nc(NCc2ccc(c(F)c2)c3ccccn3)c4ncn(C(C)C)c4n1
InChi:	InChI=1S/C24H28FN7O/c1-4-17(13-33)29-24-30-22(21-23(31-24)32(14-28-21)15(2)3)27-12-16-8-9-18(19(25)11-16)20-7-5-6-10-26-20/h5-11,14-15,17,33H,4,12-13H2,1-3H3,(H2,27,29,30,31)/t17-/m1/s1
Definition date:	2022-12-01
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

XBQ

XBQ
Name:	Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
Formula:	C29 H33 N5 O6 S
SMILES:	O=S(=O)(c1ccc(N)cc1)N1CC(=O)N(CC(=O)NC(Cc2ccccc2)C(=O)N(C)c2ccc(OC)cc2)CC1
InChi:	InChI=1S/C29H33N5O6S/c1-32(23-10-12-24(40-2)13-11-23)29(37)26(18-21-6-4-3-5-7-21)31-27(35)19-33-16-17-34(20-28(33)36)41(38,39)25-14-8-22(30)9-15-25/h3-15,26H,16-20,30H2,1-2H3,(H,31,35)/t26-/m0/s1
Definition date:	2022-11-10
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	Nalpha-{[4-(4-aminobenzene-1-sulfonyl)-2-oxopiperazin-1-yl]acetyl}-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide

RMF

RMF
Name:	~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine
Formula:	C21 H20 Cl2 N10 O
SMILES:	Cn1cc(cn1)n2cnc3c(NCc4[nH]c5cc(Cl)c(Cl)cc5n4)nc(nc23)N6CCOCC6
InChi:	InChI=1S/C21H20Cl2N10O/c1-31-10-12(8-26-31)33-11-25-18-19(29-21(30-20(18)33)32-2-4-34-5-3-32)24-9-17-27-15-6-13(22)14(23)7-16(15)28-17/h6-8,10-11H,2-5,9H2,1H3,(H,27,28)(H,24,29,30)
Definition date:	2022-12-05
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine

RMX

RMX
Name:	1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide
Formula:	C26 H30 N10 O2 S
SMILES:	CC(C)n1cnc2c(NCc3ccc(cc3)c4ccccn4)nc(NCc5n(C)nc(C)c5[S](N)(=O)=O)nc12
InChi:	InChI=1S/C26H30N10O2S/c1-16(2)36-15-31-22-24(29-13-18-8-10-19(11-9-18)20-7-5-6-12-28-20)32-26(33-25(22)36)30-14-21-23(39(27,37)38)17(3)34-35(21)4/h5-12,15-16H,13-14H2,1-4H3,(H2,27,37,38)(H2,29,30,32,33)
Definition date:	2022-12-05
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide

UH3

UH3
Name:	(3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide
Formula:	C14 H12 N4 O2
SMILES:	Cc1nc[nH]c1C=C2C(=O)Nc3ccc(cc23)C(N)=O
InChi:	InChI=1S/C14H12N4O2/c1-7-12(17-6-16-7)5-10-9-4-8(13(15)19)2-3-11(9)18-14(10)20/h2-6H,1H3,(H2,15,19)(H,16,17)(H,18,20)
Definition date:	2023-09-05
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide

ZJK

ZJK
Name:	1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane
Formula:	C27 H27 N4 O3 Ru2
SMILES:	O[Ru]12OCO[Ru](N(CN1c3ccccc3)c4ccccc4)N(CN2c5ccccc5)c6ccccc6
InChi:	InChI=1S/2C13H12N2.CH2O2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13
Definition date:	2023-06-27
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane

ZJO

ZJO
Name:	1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane
Formula:	C26 H25 N4 O Ru2
SMILES:	O[Ru]1N(CN([Ru]N(CN1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5
InChi:	InChI=1S/2C13H12N2.H2O.2Ru/c2*1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13
Definition date:	2023-06-27
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane

RNF

RNF
Name:	(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
Formula:	C25 H30 N6 O
SMILES:	CC[CH](CO)Nc1nc(NCc2ccc(cc2)c3ccccc3)c4ncn(C(C)C)c4n1
InChi:	InChI=1S/C25H30N6O/c1-4-21(15-32)28-25-29-23(22-24(30-25)31(16-27-22)17(2)3)26-14-18-10-12-20(13-11-18)19-8-6-5-7-9-19/h5-13,16-17,21,32H,4,14-15H2,1-3H3,(H2,26,28,29,30)/t21-/m1/s1
Definition date:	2022-12-05
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2~{R})-2-[[6-[(4-phenylphenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

QV3

QV3
Name:	4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide
Formula:	C26 H21 Cl F4 N6 O4
SMILES:	CC[CH](N1C=C(OC)C(=CC1=O)c2cc(Cl)ccc2n3cc(nn3)C(F)(F)F)C(=O)Nc4ccc(C(N)=O)c(F)c4
InChi:	InChI=1S/C26H21ClF4N6O4/c1-3-19(25(40)33-14-5-6-15(24(32)39)18(28)9-14)36-11-21(41-2)17(10-23(36)38)16-8-13(27)4-7-20(16)37-12-22(34-35-37)26(29,30)31/h4-12,19H,3H2,1-2H3,(H2,32,39)(H,33,40)/t19-/m0/s1
Synonyms:	Asundexian
Definition date:	2022-11-15
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	4-[[(2~{S})-2-[4-[5-chloranyl-2-[4-(trifluoromethyl)-1,2,3-triazol-1-yl]phenyl]-5-methoxy-2-oxidanylidene-pyridin-1-yl]butanoyl]amino]-2-fluoranyl-benzamide

QVI

QVI
Name:	4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide
Formula:	C24 H29 N7 O2
SMILES:	NC[CH]1CC[CH](CC1)C(=O)N[CH](Cc2ccccc2)C(=O)Nc3ccc(cc3)c4[nH]nnn4
InChi:	InChI=1S/C24H29N7O2/c25-15-17-6-8-19(9-7-17)23(32)27-21(14-16-4-2-1-3-5-16)24(33)26-20-12-10-18(11-13-20)22-28-30-31-29-22/h1-5,10-13,17,19,21H,6-9,14-15,25H2,(H,26,33)(H,27,32)(H,28,29,30,31)/t17-,19-,21-/m0/s1
Definition date:	2022-11-15
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	4-(aminomethyl)-~{N}-[(2~{S})-1-oxidanylidene-3-phenyl-1-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]amino]propan-2-yl]cyclohexane-1-carboxamide

WZQ

WZQ
Name:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)ethyl]pentanamide
Formula:	C21 H31 N5 O3 S
SMILES:	O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NCCNCc3cc4CCCOc4cn3
InChi:	InChI=1S/C21H31N5O3S/c27-19(6-2-1-5-18-20-16(13-30-18)25-21(28)26-20)23-8-7-22-11-15-10-14-4-3-9-29-17(14)12-24-15/h10,12,16,18,20,22H,1-9,11,13H2,(H,23,27)(H2,25,26,28)/t16-,18-,20-/m0/s1
Definition date:	2023-05-26
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)ethyl]pentanamide

RNU

RNU
Name:	~{N}-(5-methyl-2,3-dihydro-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-1,3-thiazolidine-4-carboxamide
Formula:	C14 H17 N3 O3 S2
SMILES:	Cc1oc(cc1)C(=O)N2CSC[CH]2C(=O)N[CH]3NC=C(C)S3
InChi:	InChI=1S/C14H17N3O3S2/c1-8-3-4-11(20-8)13(19)17-7-21-6-10(17)12(18)16-14-15-5-9(2)22-14/h3-5,10,14-15H,6-7H2,1-2H3,(H,16,18)/t10-,14+/m1/s1
Definition date:	2022-12-05
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	~{N}-(5-methyl-2,3-dihydro-1,3-thiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-1,3-thiazolidine-4-carboxamide

QVO

QVO
Name:	2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide
Formula:	C22 H14 Cl N7 O3
SMILES:	Clc1cccc(c1)C2=CC(=O)N(CC(=O)Nc3ccc(cc3)c4[nH]nnn4)C5=C2C(=O)N=C5
InChi:	InChI=1S/C22H14ClN7O3/c23-14-3-1-2-13(8-14)16-9-19(32)30(17-10-24-22(33)20(16)17)11-18(31)25-15-6-4-12(5-7-15)21-26-28-29-27-21/h1-10H,11H2,(H,25,31)(H,26,27,28,29)
Definition date:	2022-11-15
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	2-[4-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolo[3,4-b]pyridin-1-yl]-~{N}-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]ethanamide

VPL

VPL
Name:	(2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide
Formula:	C7 H13 N O5
SMILES:	NC(=O)[CH]1C[CH](O)[CH](O)[CH](CO)O1
InChi:	InChI=1S/C7H13NO5/c8-7(12)4-1-3(10)6(11)5(2-9)13-4/h3-6,9-11H,1-2H2,(H2,8,12)/t3-,4-,5-,6-/m1/s1
Definition date:	2023-03-24
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide

X08

X08
Name:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide
Formula:	C19 H29 N5 O2 S
SMILES:	Cc1ccc(CNCCNC(=O)CCCC[CH]2SC[CH]3NC(=O)N[CH]23)nc1
InChi:	InChI=1S/C19H29N5O2S/c1-13-6-7-14(22-10-13)11-20-8-9-21-17(25)5-3-2-4-16-18-15(12-27-16)23-19(26)24-18/h6-7,10,15-16,18,20H,2-5,8-9,11-12H2,1H3,(H,21,25)(H2,23,24,26)/t15-,16-,18-/m0/s1
Definition date:	2023-05-26
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[2-[(5-methylpyridin-2-yl)methylamino]ethyl]pentanamide

QW0

QW0
Name:	(~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide
Formula:	C21 H16 Cl2 N10 O
SMILES:	Nc1n[nH]c2cc(ccc12)c3[nH]c(CNC(=O)C=Cc4cc(Cl)ccc4n5cnnn5)nc3Cl
InChi:	InChI=1S/C21H16Cl2N10O/c22-13-3-5-16(33-10-26-31-32-33)11(7-13)2-6-18(34)25-9-17-27-19(20(23)28-17)12-1-4-14-15(8-12)29-30-21(14)24/h1-8,10H,9H2,(H,25,34)(H,27,28)(H3,24,29,30)/b6-2+
Definition date:	2022-11-15
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(~{E})-~{N}-[[5-(3-azanyl-1~{H}-indazol-6-yl)-4-chloranyl-1~{H}-imidazol-2-yl]methyl]-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enamide

YWV

YWV
Name:	[Ru2(DPhF)(Formate)]
Formula:	C14 H14 N2 O2 Ru2
SMILES:	C1O[Ru]N(CN([Ru]O1)c2ccccc2)c3ccccc3
InChi:	InChI=1S/C13H12N2.CH2O2.2Ru/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13
Definition date:	2023-06-22
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane

VPQ

VPQ
Name:	(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide
Formula:	C7 H13 N O6
SMILES:	NC(=O)[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H13NO6/c8-7(13)6-5(12)4(11)3(10)2(1-9)14-6/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5+,6-/m1/s1
Definition date:	2023-03-24
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide

QW6

QW6
Name:	4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid
Formula:	C28 H28 Cl N3 O6
SMILES:	COC1=C(CC(=O)N(C1)[CH](C[CH]2CCCCO2)C(=O)Nc3ccc(cc3)C(O)=O)c4cc(Cl)ccc4C#N
InChi:	InChI=1S/C28H28ClN3O6/c1-37-25-16-32(26(33)14-23(25)22-12-19(29)8-5-18(22)15-30)24(13-21-4-2-3-11-38-21)27(34)31-20-9-6-17(7-10-20)28(35)36/h5-10,12,21,24H,2-4,11,13-14,16H2,1H3,(H,31,34)(H,35,36)/t21-,24-/m0/s1
Definition date:	2022-11-15
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid

RP9

RP9
Name:	~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide
Formula:	C16 H13 Br N4 O2
SMILES:	Brc1ccc(NC(=O)CCN2C=Nc3ccccc3C2=O)nc1
InChi:	InChI=1S/C16H13BrN4O2/c17-11-5-6-14(18-9-11)20-15(22)7-8-21-10-19-13-4-2-1-3-12(13)16(21)23/h1-6,9-10H,7-8H2,(H,18,20,22)
Definition date:	2022-12-05
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	~{N}-(5-bromanylpyridin-2-yl)-3-(4-oxidanylidenequinazolin-3-yl)propanamide

RPW

RPW
Name:	2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-~{N}-(5-methyl-1,3-thiazol-2-yl)ethanamide
Formula:	C15 H15 N5 O S2
SMILES:	Cc1sc(NC(=O)Cc2csc(Nc3cccc(C)n3)n2)nc1
InChi:	InChI=1S/C15H15N5OS2/c1-9-4-3-5-12(17-9)19-15-18-11(8-22-15)6-13(21)20-14-16-7-10(2)23-14/h3-5,7-8H,6H2,1-2H3,(H,16,20,21)(H,17,18,19)
Definition date:	2022-12-06
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-~{N}-(5-methyl-1,3-thiazol-2-yl)ethanamide

RQ5

RQ5
Name:	2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
Formula:	C21 H30 N6 O3
SMILES:	CC[CH](CO)Nc1nc(NCc2ccc(OCCO)cc2)c3ncn(C(C)C)c3n1
InChi:	InChI=1S/C21H30N6O3/c1-4-16(12-29)24-21-25-19(18-20(26-21)27(13-23-18)14(2)3)22-11-15-5-7-17(8-6-15)30-10-9-28/h5-8,13-14,16,28-29H,4,9-12H2,1-3H3,(H2,22,24,25,26)/t16-/m1/s1
Definition date:	2022-12-06
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2~{R})-2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

RQ9

RQ9
Name:	(2~{R})-2-[[6-[[1-(3-chlorophenyl)pyrazol-3-yl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
Formula:	C22 H27 Cl N8 O
SMILES:	CC[CH](CO)Nc1nc(NCc2ccn(n2)c3cccc(Cl)c3)c4ncn(C(C)C)c4n1
InChi:	InChI=1S/C22H27ClN8O/c1-4-16(12-32)26-22-27-20(19-21(28-22)30(13-25-19)14(2)3)24-11-17-8-9-31(29-17)18-7-5-6-15(23)10-18/h5-10,13-14,16,32H,4,11-12H2,1-3H3,(H2,24,26,27,28)/t16-/m1/s1
Definition date:	2022-12-06
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2~{R})-2-[[6-[[1-(3-chlorophenyl)pyrazol-3-yl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol

RQE

RQE
Name:	~{N}-(1~{H}-benzimidazol-2-ylmethyl)-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine
Formula:	C21 H22 N10 O
SMILES:	Cn1cc(cn1)n2cnc3c(NCc4[nH]c5ccccc5n4)nc(nc23)N6CCOCC6
InChi:	InChI=1S/C21H22N10O/c1-29-12-14(10-24-29)31-13-23-18-19(22-11-17-25-15-4-2-3-5-16(15)26-17)27-21(28-20(18)31)30-6-8-32-9-7-30/h2-5,10,12-13H,6-9,11H2,1H3,(H,25,26)(H,22,27,28)
Definition date:	2022-12-06
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	~{N}-(1~{H}-benzimidazol-2-ylmethyl)-9-(1-methylpyrazol-4-yl)-2-morpholin-4-yl-purin-6-amine

RQL

RQL
Name:	(2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol
Formula:	C21 H22 Cl2 N10 O
SMILES:	CC[CH](CO)Nc1nc(NCc2[nH]c3cc(Cl)c(Cl)cc3n2)c4ncn(c5cnn(C)c5)c4n1
InChi:	InChI=1S/C21H22Cl2N10O/c1-3-11(9-34)27-21-30-19(18-20(31-21)33(10-25-18)12-6-26-32(2)8-12)24-7-17-28-15-4-13(22)14(23)5-16(15)29-17/h4-6,8,10-11,34H,3,7,9H2,1-2H3,(H,28,29)(H2,24,27,30,31)/t11-/m1/s1
Definition date:	2022-12-06
Last modified:	2023-09-08
Release date:	2023-09-13
Identifier:	(2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol

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