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J86

J86
Name:	[(1S)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid
Formula:	C11 H13 Br N3 O5 P
SMILES:	C[CH](NCc1cc(Br)cc2NC(=O)C(=O)Nc12)[P](O)(O)=O
InChi:	InChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1
Definition date:	2021-04-23
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	[(1~{S})-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid

AF6

AF6
Name:	N-benzyl-9H-beta-carbolin-3-amine
Formula:	C18 H15 N3
SMILES:	c1c4c(cc(n1)NCc2ccccc2)c3ccccc3n4
InChi:	InChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20)
Definition date:	2018-11-01
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-benzyl-9H-beta-carbolin-3-amine

QKE

QKE
Name:	(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide
Formula:	C19 H22 Cl N3 O3
SMILES:	N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3oc(Cl)cc3
InChi:	InChI=1S/C19H22ClN3O3/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1
Definition date:	2020-06-22
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

QV2

QV2
Name:	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one
Formula:	C19 H20 N4 O2
SMILES:	O=C1CCCC2=C1C3(CCCC3)N=C(N2)Nc4oc5ccccc5n4
InChi:	InChI=1S/C19H20N4O2/c24-14-8-5-7-13-16(14)19(10-3-4-11-19)23-17(20-13)22-18-21-12-6-1-2-9-15(12)25-18/h1-2,6,9H,3-5,7-8,10-11H2,(H2,20,21,22,23)
Definition date:	2020-08-13
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclopentane]-5-one

QXH

QXH
Name:	~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide
Formula:	C37 H47 Br2 N5 O2
SMILES:	CCC(CC)(C=O)C(=O)Nc1cc(CN2CCN(CC2)Cc3ccc(Br)cc3)cc(CN4CCN(CC4)Cc5ccc(Br)cc5)c1
InChi:	InChI=1S/C37H47Br2N5O2/c1-3-37(4-2,28-45)36(46)40-35-22-31(26-43-17-13-41(14-18-43)24-29-5-9-33(38)10-6-29)21-32(23-35)27-44-19-15-42(16-20-44)25-30-7-11-34(39)12-8-30/h5-12,21-23,28H,3-4,13-20,24-27H2,1-2H3,(H,40,46)
Definition date:	2020-08-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide

QXK

QXK
Name:	2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide
Formula:	C29 H35 N3 O2
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(CC2)Cc3cccc4ccccc34)c1
InChi:	InChI=1S/C29H35N3O2/c1-3-29(4-2,22-33)28(34)30-26-13-7-9-23(19-26)20-31-15-17-32(18-16-31)21-25-12-8-11-24-10-5-6-14-27(24)25/h5-14,19,22H,3-4,15-18,20-21H2,1-2H3,(H,30,34)
Definition date:	2020-08-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-ethyl-2-methanoyl-~{N}-[3-[[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methyl]phenyl]butanamide

QXN

QXN
Name:	2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
Formula:	C19 H29 N3 O2
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1
InChi:	InChI=1S/C19H29N3O2/c1-4-19(5-2,15-23)18(24)20-17-8-6-7-16(13-17)14-22-11-9-21(3)10-12-22/h6-8,13,15H,4-5,9-12,14H2,1-3H3,(H,20,24)
Definition date:	2020-08-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-ethyl-2-methanoyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide

QXQ

QXQ
Name:	~{N}-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide
Formula:	C24 H28 N2 O4
SMILES:	CCC(CC)(C=O)C(=O)Nc1cccc(CN2CCc3cc4OCOc4cc3C2)c1
InChi:	InChI=1S/C24H28N2O4/c1-3-24(4-2,15-27)23(28)25-20-7-5-6-17(10-20)13-26-9-8-18-11-21-22(30-16-29-21)12-19(18)14-26/h5-7,10-12,15H,3-4,8-9,13-14,16H2,1-2H3,(H,25,28)
Definition date:	2020-08-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	~{N}-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-2-ethyl-2-methanoyl-butanamide

QXT

QXT
Name:	1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione
Formula:	C24 H26 N2 O4
SMILES:	CCC1(CC)C(=O)N(C1=O)c2cccc(CN3CCc4cc5OCOc5cc4C3)c2
InChi:	InChI=1S/C24H26N2O4/c1-3-24(4-2)22(27)26(23(24)28)19-7-5-6-16(10-19)13-25-9-8-17-11-20-21(30-15-29-20)12-18(17)14-25/h5-7,10-12H,3-4,8-9,13-15H2,1-2H3
Definition date:	2020-08-19
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	1-[3-(7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinolin-6-ylmethyl)phenyl]-3,3-diethyl-azetidine-2,4-dione

QY8

QY8
Name:	2-amino-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
Formula:	C6 H6 N4 O
SMILES:	NC1=Nc2[nH]ccc2C(=O)N1
InChi:	InChI=1S/C6H6N4O/c7-6-9-4-3(1-2-8-4)5(11)10-6/h1-2H,(H4,7,8,9,10,11)
Synonyms:	2-azanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
Definition date:	2020-08-20
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-azanyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

QYB

QYB
Name:	3-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C11 H8 N4 O
SMILES:	O=C1NC=Nc2n[nH]c(c3ccccc3)c12
InChi:	InChI=1S/C11H8N4O/c16-11-8-9(7-4-2-1-3-5-7)14-15-10(8)12-6-13-11/h1-6H,(H2,12,13,14,15,16)
Synonyms:	3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one
Definition date:	2020-08-20
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	3-phenyl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one

QYE

QYE
Name:	7-chlorothieno[3,2-c]pyridin-4-amine
Formula:	C7 H5 Cl N2 S
SMILES:	Nc1ncc(Cl)c2sccc12
InChi:	InChI=1S/C7H5ClN2S/c8-5-3-10-7(9)4-1-2-11-6(4)5/h1-3H,(H2,9,10)
Synonyms:	7-chloranylthieno[3,2-c]pyridin-4-amine
Definition date:	2020-08-20
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-chloranylthieno[3,2-c]pyridin-4-amine

QYH

QYH
Name:	6-(4-methoxyphenyl)pyrimidine-2,4-diamine
Formula:	C11 H12 N4 O
SMILES:	COc1ccc(cc1)c2cc(N)nc(N)n2
InChi:	InChI=1S/C11H12N4O/c1-16-8-4-2-7(3-5-8)9-6-10(12)15-11(13)14-9/h2-6H,1H3,(H4,12,13,14,15)
Definition date:	2020-08-20
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	6-(4-methoxyphenyl)pyrimidine-2,4-diamine

QYK

QYK
Name:	4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:	C8 H6 Br N5
SMILES:	Cn1c(Br)c(C#N)c2c(N)ncnc12
InChi:	InChI=1S/C8H6BrN5/c1-14-6(9)4(2-10)5-7(11)12-3-13-8(5)14/h3H,1H3,(H2,11,12,13)
Definition date:	2020-08-20
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	4-azanyl-6-bromanyl-7-methyl-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

QYW

QYW
Name:	4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Formula:	C13 H10 N6
SMILES:	Cc1nc(N)c2c([nH]c(c3cccnc3)c2C#N)n1
InChi:	InChI=1S/C13H10N6/c1-7-17-12(15)10-9(5-14)11(19-13(10)18-7)8-3-2-4-16-6-8/h2-4,6H,1H3,(H3,15,17,18,19)
Definition date:	2020-08-21
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	4-azanyl-2-methyl-6-pyridin-3-yl-7~{H}-pyrrolo[2,3-d]pyrimidine-5-carbonitrile

QYZ

QYZ
Name:	(3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one
Formula:	C14 H11 N O2
SMILES:	Cc1oc(cc1)C=C2C(=O)Nc3ccccc23
InChi:	InChI=1S/C14H11NO2/c1-9-6-7-10(17-9)8-12-11-4-2-3-5-13(11)15-14(12)16/h2-8H,1H3,(H,15,16)/b12-8+
Definition date:	2020-08-21
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(3~{E})-3-[(5-methylfuran-2-yl)methylidene]-1~{H}-indol-2-one

QZ2

QZ2
Name:	3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid
Formula:	C8 H8 N4 O2
SMILES:	Cn1cc(cn1)c2cc([nH]n2)C(O)=O
InChi:	InChI=1S/C8H8N4O2/c1-12-4-5(3-9-12)6-2-7(8(13)14)11-10-6/h2-4H,1H3,(H,10,11)(H,13,14)
Definition date:	2020-08-21
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	3-(1-methylpyrazol-4-yl)-1~{H}-pyrazole-5-carboxylic acid

QZW

QZW
Name:	4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
Formula:	C17 H15 N5 O S
SMILES:	Cc1nc2[nH]cc(c3ccnc(N)c3)c2c(OCc4cscc4)n1
InChi:	InChI=1S/C17H15N5OS/c1-10-21-16-15(17(22-10)23-8-11-3-5-24-9-11)13(7-20-16)12-2-4-19-14(18)6-12/h2-7,9H,8H2,1H3,(H2,18,19)(H,20,21,22)
Definition date:	2020-08-24
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	4-[2-methyl-4-(thiophen-3-ylmethoxy)-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine

R05

R05
Name:	5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine
Formula:	C19 H16 F2 N6
SMILES:	Cc1nc(NCc2c(F)cccc2F)c3c([nH]cc3c4ccnc(N)c4)n1
InChi:	InChI=1S/C19H16F2N6/c1-10-26-18-17(12(8-24-18)11-5-6-23-16(22)7-11)19(27-10)25-9-13-14(20)3-2-4-15(13)21/h2-8H,9H2,1H3,(H2,22,23)(H2,24,25,26,27)
Definition date:	2020-08-24
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	5-(2-azanylpyridin-4-yl)-~{N}-[[2,6-bis(fluoranyl)phenyl]methyl]-2-methyl-7~{H}-pyrrolo[2,3-d]pyrimidin-4-amine

7RC

7RC
Name:	(2R)-4-(3-phosphonopropyl)piperazine-2-carboxylic acid
Formula:	C8 H17 N2 O5 P
SMILES:	OC(=O)[CH]1CN(CCC[P](O)(O)=O)CCN1
InChi:	InChI=1S/C8H17N2O5P/c11-8(12)7-6-10(4-2-9-7)3-1-5-16(13,14)15/h7,9H,1-6H2,(H,11,12)(H2,13,14,15)/t7-/m1/s1
Definition date:	2021-04-23
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(2~{R})-4-(3-phosphonopropyl)piperazine-2-carboxylic acid

Q65

Q65
Name:	(1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
Formula:	C26 H37 B F2 N5 O4
SMILES:	C[CH]1CC(=C2[CH](CCCCc3cn(C[CH]4[CH](O)[CH](O)[CH](O)[CH]5O[CH]45)nn3)c6n(c(C)cc6C)[B](F)(F)N12)C
InChi:	InChI=1S/C26H37BF2N5O4/c1-13-9-15(3)33-20(13)18(21-14(2)10-16(4)34(21)27(33,28)29)8-6-5-7-17-11-32(31-30-17)12-19-22(35)23(36)24(37)26-25(19)38-26/h9,11,16,18-19,22-26,35-37H,5-8,10,12H2,1-4H3/t16-,18+,19-,22-,23+,24-,25-,26+/m1/s1
Definition date:	2020-05-20
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	(1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol

Q68

Q68
Name:	~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide
Formula:	C18 H33 N5 O4
SMILES:	CCCCCCN[CH]1C[CH](O)[CH](O)[CH](O)[CH]1Cn2cc(CNC(C)=O)nn2
InChi:	InChI=1S/C18H33N5O4/c1-3-4-5-6-7-19-15-8-16(25)18(27)17(26)14(15)11-23-10-13(21-22-23)9-20-12(2)24/h10,14-19,25-27H,3-9,11H2,1-2H3,(H,20,24)/t14-,15-,16-,17+,18+/m0/s1
Definition date:	2020-05-21
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	~{N}-[[1-[[(1~{S},2~{R},3~{R},4~{S},6~{S})-6-(hexylamino)-2,3,4-tris(oxidanyl)cyclohexyl]methyl]-1,2,3-triazol-4-yl]methyl]ethanamide

97Q

97Q
Name:	2,8-bis(trifluoromethyl)quinolin-4-ol
Formula:	C11 H5 F6 N O
SMILES:	Oc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)
Definition date:	2017-04-27
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2,8-bis(trifluoromethyl)quinolin-4-ol

97W

97W
Name:	7-(trifluoromethyl)quinolin-4-ol
Formula:	C10 H6 F3 N O
SMILES:	Oc1ccnc2cc(ccc12)C(F)(F)F
InChi:	InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
Definition date:	2017-04-28
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-(trifluoromethyl)quinolin-4-ol

98K

98K
Name:	2-chloranyl-1~{H}-benzimidazole
Formula:	C7 H5 Cl N2
SMILES:	Clc1[nH]c2ccccc2n1
InChi:	InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
Definition date:	2017-04-28
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-chloranyl-1~{H}-benzimidazole

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