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NKZ

NKZ
Name:	7-bromanyl-1~{H}-benzotriazole
Formula:	C6 H4 Br N3
SMILES:	Brc1cccc2nn[nH]c12
InChi:	InChI=1S/C6H4BrN3/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H,(H,8,9,10)
Definition date:	2019-12-03
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	7-bromanyl-1~{H}-benzotriazole

NL2

NL2
Name:	5,7-bis(bromanyl)-1~{H}-benzotriazole
Formula:	C6 H3 Br2 N3
SMILES:	Brc1cc(Br)c2[nH]nnc2c1
InChi:	InChI=1S/C6H3Br2N3/c7-3-1-4(8)6-5(2-3)9-11-10-6/h1-2H,(H,9,10,11)
Definition date:	2019-12-03
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	5,7-bis(bromanyl)-1~{H}-benzotriazole

O78

O78
Name:	(3Z)-3-iminocyclohex-1-ene-1-carboxylic acid
Formula:	C7 H9 N O2
SMILES:	C1CC(=N)C=C(C1)C(=O)O
InChi:	InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h4,8H,1-3H2,(H,9,10)/b8-6-
Definition date:	2019-12-11
Last modified:	2020-12-11
Release date:	2020-12-16
Identifier:	(3Z)-3-iminocyclohex-1-ene-1-carboxylic acid

SKQ

SKQ
Name:	5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one
Formula:	C14 H19 Cl N4 O2
SMILES:	ClC1=C(C=NNC1=O)N2CCN(C3CCCCC3)C(=O)C2
InChi:	InChI=1S/C14H19ClN4O2/c15-13-11(8-16-17-14(13)21)18-6-7-19(12(20)9-18)10-4-2-1-3-5-10/h8,10H,1-7,9H2,(H,17,21)
Synonyms:	GFB-9289
Definition date:	2020-11-24
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5-chloranyl-4-(4-cyclohexyl-3-oxidanylidene-piperazin-1-yl)-1~{H}-pyridazin-6-one

RSN

RSN
Name:	(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid
Formula:	C17 H23 N5 O10 S
SMILES:	N[CH](CC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23
InChi:	InChI=1S/C17H23N5O10S/c18-8-1-7(4-23)2-10-13(8)22(6-20-10)17-15(27)14(26)11(32-17)5-31-33(29,30)21-16(28)9(19)3-12(24)25/h1-2,6,9,11,14-15,17,23,26-27H,3-5,18-19H2,(H,21,28)(H,24,25)/t9-,11+,14+,15+,17+/m0/s1
Definition date:	2020-10-20
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	(3~{S})-3-azanyl-4-[[(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxysulfonylamino]-4-oxidanylidene-butanoic acid

X4P

X4P
Name:	2-chloropyridine-4-carboxamide
Formula:	C6 H5 Cl N2 O
SMILES:	C(N)(c1cc(Cl)ncc1)=O
InChi:	InChI=1S/C6H5ClN2O/c7-5-3-4(6(8)10)1-2-9-5/h1-3H,(H2,8,10)
Definition date:	2020-11-30
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	2-chloropyridine-4-carboxamide

VUG

VUG
Name:	1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine
Formula:	C22 H29 N3
SMILES:	c4cc(N1CCN(CC1)C3CCC(c2cccc(C)c2)CC3)cnc4
InChi:	InChI=1S/C22H29N3/c1-18-4-2-5-20(16-18)19-7-9-21(10-8-19)24-12-14-25(15-13-24)22-6-3-11-23-17-22/h2-6,11,16-17,19,21H,7-10,12-15H2,1H3/t19-,21+
Definition date:	2020-09-16
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine

VUJ

VUJ
Name:	5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one
Formula:	C23 H29 N3 O
SMILES:	C3N(CCN(C1C=CC(CC1)c2cc(C)ccc2)C3)CC=4C=CC(NC=4)=O
InChi:	InChI=1S/C23H29N3O/c1-18-3-2-4-21(15-18)20-6-8-22(9-7-20)26-13-11-25(12-14-26)17-19-5-10-23(27)24-16-19/h2-6,8,10,15-16,20,22H,7,9,11-14,17H2,1H3,(H,24,27)/t20-,22+/m0/s1
Definition date:	2020-09-16
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one

X4V

X4V
Name:	N~4~,N~4~-dimethylpyridine-2,4-diamine
Formula:	C7 H11 N3
SMILES:	CN(C)c1ccnc(c1)N
InChi:	InChI=1S/C7H11N3/c1-10(2)6-3-4-9-7(8)5-6/h3-5H,1-2H3,(H2,8,9)
Definition date:	2020-11-30
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	N~4~,N~4~-dimethylpyridine-2,4-diamine

VUM

VUM
Name:	5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one
Formula:	C23 H28 F3 N3 O2
SMILES:	C1(C=CC(=CN1)CN2CCN(CC2)C4CCC(O)(c3cc(ccc3)C(F)(F)F)CC4)=O
InChi:	InChI=1S/C23H28F3N3O2/c24-23(25,26)19-3-1-2-18(14-19)22(31)8-6-20(7-9-22)29-12-10-28(11-13-29)16-17-4-5-21(30)27-15-17/h1-5,14-15,20,31H,6-13,16H2,(H,27,30)/t20-,22-
Definition date:	2020-09-16
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one

X4Y

X4Y
Name:	(3S,5R)-3-cyclohexyl-1,2-oxazolidin-5-amine
Formula:	C9 H18 N2 O
SMILES:	C2C(C1CC(N)ON1)CCCC2
InChi:	InChI=1S/C9H18N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h7-9,11H,1-6,10H2/t8-,9+/m0/s1
Definition date:	2020-11-30
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	(3S,5R)-3-cyclohexyl-1,2-oxazolidin-5-amine

VGY

VGY
Name:	2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol
Formula:	C24 H22 Cl F N4 O
SMILES:	n1c(C(C)(C)O)ncc(c1)c3cc4c(NC(C)c2c(cccc2)F)c(Cl)cnc4cc3
InChi:	InChI=1S/C24H22ClFN4O/c1-14(17-6-4-5-7-20(17)26)30-22-18-10-15(8-9-21(18)27-13-19(22)25)16-11-28-23(29-12-16)24(2,3)31/h4-14,31H,1-3H3,(H,27,30)/t14-/m1/s1
Definition date:	2020-08-12
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	2-[5-(3-chloro-4-{[(1R)-1-(2-fluorophenyl)ethyl]amino}quinolin-6-yl)pyrimidin-2-yl]propan-2-ol

S9Q

S9Q
Name:	5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one
Formula:	C16 H14 Cl F3 N4 O2
SMILES:	FC(F)(F)c1ccccc1CN2CCN(CC2=O)C3=C(Cl)C(=O)NN=C3
InChi:	InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26)
Definition date:	2020-11-13
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one

QOG

QOG
Name:	5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide
Formula:	C6 H11 N5 O3 S2
SMILES:	C(C)(C)NC(=O)Nc1sc(S(N)(=O)=O)nn1
InChi:	InChI=1S/C6H11N5O3S2/c1-3(2)8-4(12)9-5-10-11-6(15-5)16(7,13)14/h3H,1-2H3,(H2,7,13,14)(H2,8,9,10,12)
Definition date:	2019-12-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide

WCS

WCS
Name:	6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine
Formula:	C22 H30 N6 O3 S
SMILES:	c1(ccc(cc1)OCCCN(C)C)c2nc(S(C)(=O)=O)nc(c2)NCCCn3cccn3
InChi:	InChI=1S/C22H30N6O3S/c1-27(2)13-6-16-31-19-9-7-18(8-10-19)20-17-21(26-22(25-20)32(3,29)30)23-11-4-14-28-15-5-12-24-28/h5,7-10,12,15,17H,4,6,11,13-14,16H2,1-3H3,(H,23,25,26)
Definition date:	2020-10-14
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	6-{4-[3-(dimethylamino)propoxy]phenyl}-2-(methylsulfonyl)-N-[3-(1H-pyrazol-1-yl)propyl]pyrimidin-4-amine

WCV

WCV
Name:	cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone
Formula:	C20 H21 N5 O
SMILES:	c1nc(NCC#C)nc(c1)Nc2cc3c(cc2)CCCN3C(C4CC4)=O
InChi:	InChI=1S/C20H21N5O/c1-2-10-21-20-22-11-9-18(24-20)23-16-8-7-14-4-3-12-25(17(14)13-16)19(26)15-5-6-15/h1,7-9,11,13,15H,3-6,10,12H2,(H2,21,22,23,24)
Definition date:	2020-10-14
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	cyclopropyl[7-({2-[(prop-2-yn-1-yl)amino]pyrimidin-4-yl}amino)-3,4-dihydroquinolin-1(2H)-yl]methanone

QPY

QPY
Name:	benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate
Formula:	C24 H25 N9 O5
SMILES:	C(c1ccccc1)OC(N5C(C=4NC(=O)C(O)=C(C(=O)NCCn3cnc2c(ncnc23)N)N=4)CCC5)=O
InChi:	InChI=1S/C24H25N9O5/c25-19-17-21(28-12-27-19)32(13-29-17)10-8-26-22(35)16-18(34)23(36)31-20(30-16)15-7-4-9-33(15)24(37)38-11-14-5-2-1-3-6-14/h1-3,5-6,12-13,15,34H,4,7-11H2,(H,26,35)(H2,25,27,28)(H,30,31,36)/t15-/m0/s1
Definition date:	2019-12-06
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate

QBK

QBK
Name:	5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione
Formula:	C5 H2 N4 O2 S
SMILES:	NC1=NC(=O)C2=NC(=O)SC2=N1
InChi:	InChI=1S/C5H2N4O2S/c6-4-8-2(10)1-3(9-4)12-5(11)7-1/h(H2,6,8,10)
Definition date:	2020-06-02
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione

VYM

VYM
Name:	(7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone
Formula:	C13 H16 N2 O
SMILES:	C(C1CC1)(=O)N3CCCc2ccc(cc23)N
InChi:	InChI=1S/C13H16N2O/c14-11-6-5-9-2-1-7-15(12(9)8-11)13(16)10-3-4-10/h5-6,8,10H,1-4,7,14H2
Definition date:	2020-09-22
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	(7-amino-3,4-dihydroquinolin-1(2H)-yl)(cyclopropyl)methanone

QQP

QQP
Name:	N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide
Formula:	C19 H15 F3 N8 O3
SMILES:	n3cn(CCNC(C2=C(C(NC(c1ccccc1C(F)(F)F)=N2)=O)O)=O)c4c3c(N)ncn4
InChi:	InChI=1S/C19H15F3N8O3/c20-19(21,22)10-4-2-1-3-9(10)15-28-11(13(31)18(33)29-15)17(32)24-5-6-30-8-27-12-14(23)25-7-26-16(12)30/h1-4,7-8,31H,5-6H2,(H,24,32)(H2,23,25,26)(H,28,29,33)
Definition date:	2019-12-09
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide

RJH

RJH
Name:	1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea
Formula:	C21 H25 Cl N6 O4
SMILES:	COC[CH]1COCCN1c2n3nc(C)cc3ncc2NC(=O)Nc4ccc(OC)c(Cl)c4
InChi:	InChI=1S/C21H25ClN6O4/c1-13-8-19-23-10-17(25-21(29)24-14-4-5-18(31-3)16(22)9-14)20(28(19)26-13)27-6-7-32-12-15(27)11-30-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H2,24,25,29)/t15-/m0/s1
Definition date:	2020-09-30
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea

RJK

RJK
Name:	1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea
Formula:	C20 H19 Br Cl N5 O2
SMILES:	NCc1cnn(c1)c2ccc(NC(=O)N[CH]3COc4ccc(Br)cc4C3)cc2Cl
InChi:	InChI=1S/C20H19BrClN5O2/c21-14-1-4-19-13(5-14)6-16(11-29-19)26-20(28)25-15-2-3-18(17(22)7-15)27-10-12(8-23)9-24-27/h1-5,7,9-10,16H,6,8,11,23H2,(H2,25,26,28)/t16-/m1/s1
Definition date:	2020-09-30
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea

QRV

QRV
Name:	2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1H-purin-7-ium
Formula:	C20 H27 F N6 O8 P
SMILES:	c3n(C1C(C(C(COP(O)(O)=O)O1)O)F)c2c(C(NC(N)=N2)=O)[n+]3CCN(c4ccccc4)CCO
InChi:	InChI=1S/C20H26FN6O8P/c21-14-16(29)13(10-34-36(31,32)33)35-19(14)27-11-26(15-17(27)23-20(22)24-18(15)30)7-6-25(8-9-28)12-4-2-1-3-5-12/h1-5,11,13-14,16,19,28-29H,6-10H2,(H4-,22,23,24,30,31,32,33)/p+1/t13-,14+,16-,19-/m1/s1
Definition date:	2019-12-13
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1H-purin-7-ium

P5E

P5E
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate
Formula:	C9 H15 N2 O14 P3 S
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](S)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
InChi:	InChI=1S/C9H15N2O14P3S/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(23-8)3-22-28(21,29)25-27(19,20)24-26(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,29)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-,28+/m1/s1
Definition date:	2020-04-15
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-sulfanyl-phosphoryl] phosphono hydrogen phosphate

P72

P72
Name:	4-oxidanylbenzenecarboximidamide
Formula:	C7 H8 N2 O
SMILES:	NC(=N)c1ccc(O)cc1
InChi:	InChI=1S/C7H8N2O/c8-7(9)5-1-3-6(10)4-2-5/h1-4,10H,(H3,8,9)
Definition date:	2020-04-16
Last modified:	2020-12-04
Release date:	2020-12-09
Identifier:	4-oxidanylbenzenecarboximidamide

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