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C9G

C9G
Name:	2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one
Formula:	C17 H13 N5 O2
SMILES:	c3cc(c2cn(c1ccc(cc1)O)nn2)nc4C(N(C)C=Cc34)=O
InChi:	InChI=1S/C17H13N5O2/c1-21-9-8-11-2-7-14(18-16(11)17(21)24)15-10-22(20-19-15)12-3-5-13(23)6-4-12/h2-10,23H,1H3
Definition date:	2017-09-20
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	2-[1-(4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one

C9J

C9J
Name:	2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one
Formula:	C17 H12 F N5 O2
SMILES:	c2c1c(C(N(C)C=C1)=O)nc(c2)c3cn(nn3)c4ccc(c(c4)F)O
InChi:	InChI=1S/C17H12FN5O2/c1-22-7-6-10-2-4-13(19-16(10)17(22)25)14-9-23(21-20-14)11-3-5-15(24)12(18)8-11/h2-9,24H,1H3
Definition date:	2017-09-20
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-7-methyl-1,7-naphthyridin-8(7H)-one

C9Y

C9Y
Name:	{2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8H)-yl}acetic acid
Formula:	C18 H12 F N5 O4
SMILES:	O=C4N(C=Cc3ccc(c2cn(c1cc(c(cc1)O)F)nn2)nc34)CC(O)=O
InChi:	InChI=1S/C18H12FN5O4/c19-12-7-11(2-4-15(12)25)24-8-14(21-22-24)13-3-1-10-5-6-23(9-16(26)27)18(28)17(10)20-13/h1-8,25H,9H2,(H,26,27)
Definition date:	2017-09-20
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	{2-[1-(3-fluoro-4-hydroxyphenyl)-1H-1,2,3-triazol-4-yl]-8-oxo-1,7-naphthyridin-7(8H)-yl}acetic acid

CFG

CFG
Name:	N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide
Formula:	C23 H27 N3 O5 Si
SMILES:	c3cc(C(C(=O)Nc1ccc(cc1)[Si](C)(C)C)N(C)C(C2=CC(=O)NO2)=O)ccc3OC
InChi:	InChI=1S/C23H27N3O5Si/c1-26(23(29)19-14-20(27)25-31-19)21(15-6-10-17(30-2)11-7-15)22(28)24-16-8-12-18(13-9-16)32(3,4)5/h6-14,21H,1-5H3,(H,24,28)(H,25,27)/t21-/m1/s1
Definition date:	2017-09-21
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	N-[(1R)-1-(4-methoxyphenyl)-2-oxo-2-{[4-(trimethylsilyl)phenyl]amino}ethyl]-N-methyl-3-oxo-2,3-dihydro-1,2-oxazole-5-carboxamide

CKD

CKD
Name:	(S)-N-(3-fluoro-2-(2-(1-(phenylsulfonyl)piperazin-2-yl)ethyl)phenyl)-3,3-bis(4-fluorophenyl)propanamide
Formula:	C33 H32 F3 N3 O3 S
SMILES:	C1(N(CCNC1)S(c2ccccc2)(=O)=O)CCc3c(cccc3NC(=O)CC(c4ccc(cc4)F)c5ccc(F)cc5)F
InChi:	InChI=1S/C33H32F3N3O3S/c34-25-13-9-23(10-14-25)30(24-11-15-26(35)16-12-24)21-33(40)38-32-8-4-7-31(36)29(32)18-17-27-22-37-19-20-39(27)43(41,42)28-5-2-1-3-6-28/h1-16,27,30,37H,17-22H2,(H,38,40)/t27-/m0/s1
Definition date:	2017-09-27
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	3,3-bis(4-fluorophenyl)-N-(3-fluoro-2-{2-[(2S)-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)propanamide

CKM

CKM
Name:	N-(3-fluoro-2-{2-[(2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Formula:	C34 H34 F3 N3 O3 S
SMILES:	C1(N(C(CNC1)C)S(c2ccccc2)(=O)=O)CCc3c(F)cccc3NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F
InChi:	InChI=1S/C34H34F3N3O3S/c1-23-21-38-22-28(40(23)44(42,43)29-6-3-2-4-7-29)18-19-30-32(37)8-5-9-33(30)39-34(41)20-31(24-10-14-26(35)15-11-24)25-12-16-27(36)17-13-25/h2-17,23,28,31,38H,18-22H2,1H3,(H,39,41)/t23-,28+/m1/s1
Definition date:	2017-09-27
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	N-(3-fluoro-2-{2-[(2S,6R)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide

CKS

CKS
Name:	N-(3-fluoro-2-{2-[(2S,5R)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Formula:	C34 H34 F3 N3 O3 S
SMILES:	C1(N(CC(C)NC1)S(c2ccccc2)(=O)=O)CCc3c(F)cccc3NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F
InChi:	InChI=1S/C34H34F3N3O3S/c1-23-22-40(44(42,43)29-6-3-2-4-7-29)28(21-38-23)18-19-30-32(37)8-5-9-33(30)39-34(41)20-31(24-10-14-26(35)15-11-24)25-12-16-27(36)17-13-25/h2-17,23,28,31,38H,18-22H2,1H3,(H,39,41)/t23-,28+/m1/s1
Definition date:	2017-09-27
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	N-(3-fluoro-2-{2-[(2S,5R)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide

CKV

CKV
Name:	N-(3-fluoro-2-{2-[(2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Formula:	C34 H34 F3 N3 O3 S
SMILES:	C1(CNC(CN1S(c2ccccc2)(=O)=O)C)CCc3c(F)cccc3NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F
InChi:	InChI=1S/C34H34F3N3O3S/c1-23-22-40(44(42,43)29-6-3-2-4-7-29)28(21-38-23)18-19-30-32(37)8-5-9-33(30)39-34(41)20-31(24-10-14-26(35)15-11-24)25-12-16-27(36)17-13-25/h2-17,23,28,31,38H,18-22H2,1H3,(H,39,41)/t23-,28-/m0/s1
Definition date:	2017-09-27
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	N-(3-fluoro-2-{2-[(2S,5S)-5-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide

CKY

CKY
Name:	N-(3-fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide
Formula:	C34 H34 F3 N3 O3 S
SMILES:	C1(N(C(CNC1)C)S(c2ccccc2)(=O)=O)CCc3c(F)cccc3NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F
InChi:	InChI=1S/C34H34F3N3O3S/c1-23-21-38-22-28(40(23)44(42,43)29-6-3-2-4-7-29)18-19-30-32(37)8-5-9-33(30)39-34(41)20-31(24-10-14-26(35)15-11-24)25-12-16-27(36)17-13-25/h2-17,23,28,31,38H,18-22H2,1H3,(H,39,41)/t23-,28-/m0/s1
Definition date:	2017-09-27
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	N-(3-fluoro-2-{2-[(2S,6S)-6-methyl-1-(phenylsulfonyl)piperazin-2-yl]ethyl}phenyl)-3,3-bis(4-fluorophenyl)propanamide

CN4

CN4
Name:	N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide
Formula:	C30 H32 F3 N3 O3 S
SMILES:	C1C(N2CC(N1)CCCS2(=O)=O)CCc3c(F)cccc3NC(=O)CC(c4ccc(cc4)F)c5ccc(cc5)F
InChi:	InChI=1S/C30H32F3N3O3S/c31-22-10-6-20(7-11-22)27(21-8-12-23(32)13-9-21)17-30(37)35-29-5-1-4-28(33)26(29)15-14-25-18-34-24-3-2-16-40(38,39)36(25)19-24/h1,4-13,24-25,27,34H,2-3,14-19H2,(H,35,37)/t24-,25+/m1/s1
Definition date:	2017-09-27
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	N-(2-{2-[(6R,9S)-2,2-dioxo-2lambda~6~-thia-1,7-diazabicyclo[4.3.1]decan-9-yl]ethyl}-3-fluorophenyl)-3,3-bis(4-fluorophenyl)propanamide

CQN

CQN
Name:	Bepridil
Formula:	C24 H34 N2 O
SMILES:	CC(C)COC[CH](CN(Cc1ccccc1)c2ccccc2)N3CCCC3
InChi:	InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3/t24-/m1/s1
Definition date:	2017-12-03
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	~{N}-[(2~{R})-3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-~{N}-(phenylmethyl)aniline

CXQ

CXQ
Name:	benztropine
Formula:	C21 H25 N O
SMILES:	CN1[CH]2CC[CH]1C[CH](C2)OC(c3ccccc3)c4ccccc4
InChi:	InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+
Definition date:	2017-12-13
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	(1~{S},5~{R})-3-(diphenylmethyl)oxy-8-methyl-8-azabicyclo[3.2.1]octane

DY7

DY7
Name:	2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium
Formula:	C11 H11 Br2 N4
SMILES:	c1(C)cc(nc([nH+]1)N)Nc2cc(cc(c2)Br)Br
InChi:	InChI=1S/C11H10Br2N4/c1-6-2-10(17-11(14)15-6)16-9-4-7(12)3-8(13)5-9/h2-5H,1H3,(H3,14,15,16,17)/p+1
Definition date:	2017-11-14
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	2-amino-4-[(3,5-dibromophenyl)amino]-6-methylpyrimidin-1-ium

IR8

IR8
Name:	[(2R,3S,4R,5R)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]
Formula:	C6 H15 N O10 P2
SMILES:	O=P(O)(O)OCC1NC(COP(O)(O)=O)C(C1O)O
InChi:	InChI=1S/C6H15NO10P2/c8-5-3(1-16-18(10,11)12)7-4(6(5)9)2-17-19(13,14)15/h3-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5-,6+/m1/s1
Definition date:	2017-04-26
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	[(2R,3R,4S,5R)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]

IR9

IR9
Name:	[(2S,3R,4S,5S)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]
Formula:	C6 H15 N O10 P2
SMILES:	O=P(O)(OCC1C(C(C(N1)COP(O)(O)=O)O)O)O
InChi:	InChI=1S/C6H15NO10P2/c8-5-3(1-16-18(10,11)12)7-4(6(5)9)2-17-19(13,14)15/h3-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)/t3-,4-,5-,6+/m0/s1
Definition date:	2017-04-26
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	[(2S,3R,4S,5S)-3,4-dihydroxypyrrolidine-2,5-diyl]bis(methylene) bis[dihydrogen (phosphate)]

ZSO

ZSO
Name:	5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole
Formula:	C19 H20 F N3 O
SMILES:	Fc4ccc(C1CCNCC1COc3cc2cnnc2cc3)cc4
InChi:	InChI=1S/C19H20FN3O/c20-16-3-1-13(2-4-16)18-7-8-21-10-15(18)12-24-17-5-6-19-14(9-17)11-22-23-19/h1-6,9,11,15,18,21H,7-8,10,12H2,(H,22,23)/t15-,18-/m0/s1
Definition date:	2017-07-16
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole

7V6

7V6
Name:	5-[(3R)-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid
Formula:	C16 H17 B O4
SMILES:	Bc1ccc(cc1)[CH](O)CCc2ccc(O)c(c2)C(O)=O
InChi:	InChI=1S/C16H17BO4/c17-12-5-3-11(4-6-12)14(18)7-1-10-2-8-15(19)13(9-10)16(20)21/h2-6,8-9,14,18-19H,1,7,17H2,(H,20,21)/t14-/m1/s1
Definition date:	2017-01-18
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	5-[(3~{R})-3-(4-boranylphenyl)-3-oxidanyl-propyl]-2-oxidanyl-benzoic acid

7Z0

7Z0
Name:	N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide
Formula:	C21 H13 Br F2 N4 O3 S
SMILES:	COc1n[nH]c2ncc(cc12)C#Cc3c(F)ccc(N[S](=O)(=O)c4cccc(Br)c4)c3F
InChi:	InChI=1S/C21H13BrF2N4O3S/c1-31-21-16-9-12(11-25-20(16)26-27-21)5-6-15-17(23)7-8-18(19(15)24)28-32(29,30)14-4-2-3-13(22)10-14/h2-4,7-11,28H,1H3,(H,25,26,27)
Definition date:	2017-02-21
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	~{N}-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide

KU0

KU0
Name:	2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide
Formula:	C23 H21 Cl2 N5 O6 S
SMILES:	c1(Cl)cncc(c1C(N4CCCC4C=3NC(C(O)=C(C(=O)NCCS(c2ccccc2)(=O)=O)N=3)=O)=O)Cl
InChi:	InChI=1S/C23H21Cl2N5O6S/c24-14-11-26-12-15(25)17(14)23(34)30-9-4-7-16(30)20-28-18(19(31)22(33)29-20)21(32)27-8-10-37(35,36)13-5-2-1-3-6-13/h1-3,5-6,11-12,16,31H,4,7-10H2,(H,27,32)(H,28,29,33)/t16-/m0/s1
Definition date:	2017-06-27
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide

9GA

9GA
Name:	N-{(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1H-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Formula:	C22 H22 F3 N7 O3
SMILES:	n4cn(c1c(C)cn2ncc(c2n1)C(=O)NC(c3ccc(OC(F)(F)F)cc3)C(O)(C)C)nc4C
InChi:	InChI=1S/C22H22F3N7O3/c1-12-10-31-19(29-18(12)32-11-26-13(2)30-32)16(9-27-31)20(33)28-17(21(3,4)34)14-5-7-15(8-6-14)35-22(23,24)25/h5-11,17,34H,1-4H3,(H,28,33)/t17-/m0/s1
Definition date:	2017-05-09
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	N-{(1S)-2-hydroxy-2-methyl-1-[4-(trifluoromethoxy)phenyl]propyl}-6-methyl-5-(3-methyl-1H-1,2,4-triazol-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

9R2

9R2
Name:	[(2~{R},3~{S},4~{S},5~{S},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hexadecanoate
Formula:	C22 H42 O7
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C22H42O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(23)28-16-17-19(24)20(25)21(26)22(27)29-17/h17,19-22,24-27H,2-16H2,1H3/t17-,19-,20+,21+,22+/m1/s1
Definition date:	2017-06-30
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	[(2~{R},3~{S},4~{S},5~{S},6~{S})-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl hexadecanoate

8GE

8GE
Name:	4-(1~{H}-indol-2-yl)benzenesulfonamide
Formula:	C14 H12 N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2
InChi:	InChI=1S/C14H12N2O2S/c15-19(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H,(H2,15,17,18)
Definition date:	2017-02-06
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	4-(1~{H}-indol-2-yl)benzenesulfonamide

8GH

8GH
Name:	4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
Formula:	C16 H15 N3 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2ccc(Cn3cccn3)cc2
InChi:	InChI=1S/C16H15N3O2S/c17-22(20,21)16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-19-11-1-10-18-19/h1-11H,12H2,(H2,17,20,21)
Definition date:	2017-02-06
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

8HE

8HE
Name:	4-(4-cyanophenyl)benzenesulfonamide
Formula:	C13 H10 N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2ccc(cc2)C#N
InChi:	InChI=1S/C13H10N2O2S/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)18(15,16)17/h1-8H,(H2,15,16,17)
Definition date:	2017-02-07
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	4-(4-cyanophenyl)benzenesulfonamide

8HK

8HK
Name:	4-pyridin-3-ylbenzenesulfonamide
Formula:	C11 H10 N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2cccnc2
InChi:	InChI=1S/C11H10N2O2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H,(H2,12,14,15)
Definition date:	2017-02-07
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	4-pyridin-3-ylbenzenesulfonamide

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