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R40

R40
Name:	N~2~-[(benzyloxy)carbonyl]-L-arginine
Formula:	C14 H20 N4 O4
SMILES:	N=C(/NCCCC(NC(=O)OCc1ccccc1)C(=O)O)N
InChi:	InChI=1S/C14H20N4O4/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17)/t11-/m0/s1
Definition date:	2016-03-28
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	N~2~-[(benzyloxy)carbonyl]-L-arginine

P87

P87
Name:	3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one
Formula:	C11 H19 N O2
SMILES:	O=C(N1CCCC1)CCC2CCOC2
InChi:	InChI=1S/C11H19NO2/c13-11(12-6-1-2-7-12)4-3-10-5-8-14-9-10/h10H,1-9H2/t10-/m0/s1
Definition date:	2016-03-30
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one

P93

P93
Name:	N-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide
Formula:	C10 H14 N2 O2
SMILES:	O=C(N1CCCC1)NCc2cocc2
InChi:	InChI=1S/C10H14N2O2/c13-10(12-4-1-2-5-12)11-7-9-3-6-14-8-9/h3,6,8H,1-2,4-5,7H2,(H,11,13)
Definition date:	2016-03-30
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	N-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide

AOT

AOT
Name:	2-oxidanylidene-2-phenylazanyl-ethanoic acid
Formula:	C8 H7 N O3
SMILES:	OC(=O)C(=O)Nc1ccccc1
InChi:	InChI=1S/C8H7NO3/c10-7(8(11)12)9-6-4-2-1-3-5-6/h1-5H,(H,9,10)(H,11,12)
Definition date:	2017-02-02
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	2-oxidanylidene-2-phenylazanyl-ethanoic acid

AR5

AR5
Name:	N~2~-(tert-butoxycarbonyl)-L-arginine
Formula:	C11 H22 N4 O4
SMILES:	O=C(NC(CCCNC(=N)N)C(=O)O)OC(C)(C)C
InChi:	InChI=1S/C11H22N4O4/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14)/t7-/m0/s1
Definition date:	2016-03-30
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	N~2~-(tert-butoxycarbonyl)-L-arginine

FGZ

FGZ
Name:	3,5-dichloro-4-hydroxybenzoic acid
Formula:	C7 H4 Cl2 O3
SMILES:	O=C(c1cc(Cl)c(O)c(Cl)c1)O
InChi:	InChI=1S/C7H4Cl2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
Definition date:	2016-05-17
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	3,5-dichloro-4-hydroxybenzoic acid

6F4

6F4
Name:	N~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine
Formula:	C7 H8 N4 S2
SMILES:	c1ccsc1CNc2nnc(s2)N
InChi:	InChI=1S/C7H8N4S2/c8-6-10-11-7(13-6)9-4-5-2-1-3-12-5/h1-3H,4H2,(H2,8,10)(H,9,11)
Definition date:	2016-03-26
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	N~2~-[(thiophen-2-yl)methyl]-1,3,4-thiadiazole-2,5-diamine

6NQ

6NQ
Name:	2'-Bromo-2'-deoxyadenosine 5'-[beta,gamma-imide]triphosphoric acid
Formula:	C10 H16 Br N6 O11 P3
SMILES:	c12c(c(N)ncn1)ncn2C3OC(COP(=O)(O)OP(O)(NP(O)(O)=O)=O)C(C3Br)O
InChi:	InChI=1S/C10H16BrN6O11P3/c11-5-7(18)4(1-26-31(24,25)28-30(22,23)16-29(19,20)21)27-10(5)17-3-15-6-8(12)13-2-14-9(6)17/h2-5,7,10,18H,1H2,(H,24,25)(H2,12,13,14)(H4,16,19,20,21,22,23)/t4-,5-,7-,10-/m1/s1
Definition date:	2016-05-11
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	2'-bromo-2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]adenosine

6OR

6OR
Name:	3,5-dichloro-4-hydroxybenzene-1-sulfonic acid
Formula:	C6 H4 Cl2 O4 S
SMILES:	c1c(c(c(cc1S(O)(=O)=O)Cl)O)Cl
InChi:	InChI=1S/C6H4Cl2O4S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2,9H,(H,10,11,12)
Definition date:	2016-05-16
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	3,5-dichloro-4-hydroxybenzene-1-sulfonic acid

6OT

6OT
Name:	3,5-dichlorobenzene-1-sulfonamide
Formula:	C6 H5 Cl2 N O2 S
SMILES:	NS(c1cc(cc(c1)Cl)Cl)(=O)=O
InChi:	InChI=1S/C6H5Cl2NO2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H,(H2,9,10,11)
Definition date:	2016-05-16
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	3,5-dichlorobenzene-1-sulfonamide

76X

76X
Name:	pyridine-2,3-diamine
Formula:	C5 H7 N3
SMILES:	Nc1cccnc1N
InChi:	InChI=1S/C5H7N3/c6-4-2-1-3-8-5(4)7/h1-3H,6H2,(H2,7,8)
Definition date:	2016-09-08
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	pyridine-2,3-diamine

5VY

5VY
Name:	2-methyl-~{N}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide
Formula:	C26 H35 N7 O2 S
SMILES:	CN1CCN(CC1)c2ccc(Nc3ncc(C)c(Nc4cccc(N[S](=O)(=O)C(C)(C)C)c4)n3)cc2
InChi:	InChI=1S/C26H35N7O2S/c1-19-18-27-25(29-20-9-11-23(12-10-20)33-15-13-32(5)14-16-33)30-24(19)28-21-7-6-8-22(17-21)31-36(34,35)26(2,3)4/h6-12,17-18,31H,13-16H2,1-5H3,(H2,27,28,29,30)
Definition date:	2015-12-14
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	2-methyl-~{N}-[3-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]propane-2-sulfonamide

7HX

7HX
Name:	7H-pyrrolo[2,3-d]pyrimidin-4-ol
Formula:	C6 H5 N3 O
SMILES:	Oc1c2c(ncn1)ncc2
InChi:	InChI=1S/C6H5N3O/c10-6-4-1-2-7-5(4)8-3-9-6/h1-3H,(H2,7,8,9,10)
Definition date:	2016-03-18
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	7H-pyrrolo[2,3-d]pyrimidin-4-ol

87J

87J
Name:	(S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol
Formula:	C28 H22 Cl F3 N4 O4 S
SMILES:	c1cc(ccc1c3c(c2cc(ccc2nc3OC)C(c4ccc(C(F)(F)F)nc4)(c5cncn5C)O)Cl)S(C)(=O)=O
InChi:	InChI=1S/C28H22ClF3N4O4S/c1-36-15-33-14-23(36)27(37,18-7-11-22(34-13-18)28(30,31)32)17-6-10-21-20(12-17)25(29)24(26(35-21)40-2)16-4-8-19(9-5-16)41(3,38)39/h4-15,37H,1-3H3/t27-/m0/s1
Definition date:	2017-01-10
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	(S)-{4-chloro-2-methoxy-3-[4-(methylsulfonyl)phenyl]quinolin-6-yl}(1-methyl-1H-imidazol-5-yl)[6-(trifluoromethyl)pyridin-3-yl]methanol

88J

88J
Name:	(S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol
Formula:	C27 H24 Cl N5 O
SMILES:	c1ccc(cc1)c3c(N(C)C)nc2ccc(cc2c3Cl)C(c4ccncc4)(c5cncn5C)O
InChi:	InChI=1S/C27H24ClN5O/c1-32(2)26-24(18-7-5-4-6-8-18)25(28)21-15-20(9-10-22(21)31-26)27(34,19-11-13-29-14-12-19)23-16-30-17-33(23)3/h4-17,34H,1-3H3/t27-/m1/s1
Definition date:	2017-01-10
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	(S)-[4-chloro-2-(dimethylamino)-3-phenylquinolin-6-yl](1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol

8A4

8A4
Name:	(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
Formula:	C31 H25 Cl2 N5 O2
SMILES:	c1cc4c(cc1C(c2ccc(cc2)Cl)(c3cncn3C)O)c(c(c(OC)n4)Cc5ccc(cc5)n6cccn6)Cl
InChi:	InChI=1S/C31H25Cl2N5O2/c1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38/h3-15,17-19,39H,16H2,1-2H3/t31-/m1/s1
Definition date:	2017-01-16
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	(R)-(4-chloro-2-methoxy-3-{[4-(1H-pyrazol-1-yl)phenyl]methyl}quinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol

8EM

8EM
Name:	N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide
Formula:	C37 H31 N7 O3
SMILES:	N4(Cc1ccc(cc1)c2c(cccc2)c3nnnn3)C(=Nc5ccc(cc5C4=O)N(C(c6ccccc6)=O)Cc7occc7)CCC
InChi:	InChI=1S/C37H31N7O3/c1-2-9-34-38-33-20-19-28(43(24-29-12-8-21-47-29)36(45)27-10-4-3-5-11-27)22-32(33)37(46)44(34)23-25-15-17-26(18-16-25)30-13-6-7-14-31(30)35-39-41-42-40-35/h3-8,10-22H,2,9,23-24H2,1H3,(H,39,40,41,42)
Definition date:	2017-02-01
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide

8ES

8ES
Name:	N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide
Formula:	C36 H29 N7 O2 S
SMILES:	N4(C(c3c(ccc(N(C(=O)c1cccs1)Cc2ccccc2)c3)N=C4CC)=O)Cc7ccc(c6ccccc6c5nnnn5)cc7
InChi:	InChI=1S/C36H29N7O2S/c1-2-33-37-31-19-18-27(42(22-24-9-4-3-5-10-24)36(45)32-13-8-20-46-32)21-30(31)35(44)43(33)23-25-14-16-26(17-15-25)28-11-6-7-12-29(28)34-38-40-41-39-34/h3-21H,2,22-23H2,1H3,(H,38,39,40,41)
Definition date:	2017-02-01
Last modified:	2017-03-31
Release date:	2017-04-05
Identifier:	N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide

AY7

AY7
Name:	asciminib
Formula:	C20 H18 Cl F2 N5 O3
SMILES:	O[CH]1CCN(C1)c2ncc(cc2c3[nH]ncc3)C(=O)Nc4ccc(OC(F)(F)Cl)cc4
InChi:	InChI=1S/C20H18ClF2N5O3/c21-20(22,23)31-15-3-1-13(2-4-15)26-19(30)12-9-16(17-5-7-25-27-17)18(24-10-12)28-8-6-14(29)11-28/h1-5,7,9-10,14,29H,6,8,11H2,(H,25,27)(H,26,30)/t14-/m1/s1
Definition date:	2016-12-13
Last modified:	2017-03-28
Release date:	2017-04-02
Identifier:	~{N}-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-(1~{H}-pyrazol-5-yl)pyridine-3-carboxamide

SIX

SIX
Name:	2-{5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluorophenyl}-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
Formula:	C26 H29 F N4 O4
SMILES:	O=C(NCCc1cnnc1)Cc5cc(C2CCNCC2COc3ccc4c(c3)OCO4)ccc5F
InChi:	InChI=1S/C26H29FN4O4/c27-23-3-1-18(9-19(23)10-26(32)29-8-5-17-12-30-31-13-17)22-6-7-28-14-20(22)15-33-21-2-4-24-25(11-21)35-16-34-24/h1-4,9,11-13,20,22,28H,5-8,10,14-16H2,(H,29,32)(H,30,31)/t20-,22-/m0/s1
Definition date:	2017-01-24
Last modified:	2017-03-28
Release date:	2017-04-02
Identifier:	2-{5-[(3S,4R)-3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}piperidin-4-yl]-2-fluorophenyl}-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide

D5Q

D5Q
Name:	4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide
Formula:	C29 H26 F N5 O3 S
SMILES:	COc1ccc(OC)c(c1)c2cn(C)c(c2)C(=O)Nc3cc(ccn3)c4[nH]c(SC)nc4c5ccc(F)cc5
InChi:	InChI=1S/C29H26FN5O3S/c1-35-16-19(22-15-21(37-2)9-10-24(22)38-3)13-23(35)28(36)32-25-14-18(11-12-31-25)27-26(33-29(34-27)39-4)17-5-7-20(30)8-6-17/h5-16H,1-4H3,(H,33,34)(H,31,32,36)
Definition date:	2016-12-21
Last modified:	2017-03-28
Release date:	2017-04-02
Identifier:	4-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]-1-methyl-pyrrole-2-carboxamide

EBU

EBU
Name:	pepide inhibtor
Formula:	C46 H56 N10 O6
SMILES:	N[CH](Cc1ccccc1)C(=O)N[CH]2Cc3cn(CCCC[C]4(CCCN4C(=O)[CH](CCCNC(N)=N)NC2=O)C(=O)N[CH](Cc5c[nH]c6ccccc56)C(O)=O)c7ccccc37
InChi:	InChI=1S/C46H56N10O6/c47-34(24-29-12-2-1-3-13-29)40(57)53-37-26-31-28-55(39-18-7-5-15-33(31)39)22-9-8-19-46(20-11-23-56(46)42(59)36(52-41(37)58)17-10-21-50-45(48)49)44(62)54-38(43(60)61)25-30-27-51-35-16-6-4-14-32(30)35/h1-7,12-16,18,27-28,34,36-38,51H,8-11,17,19-26,47H2,(H,52,58)(H,53,57)(H,54,62)(H,60,61)(H4,48,49,50)/t34-,36-,37-,38-,46-/m0/s1
Definition date:	2017-01-19
Last modified:	2017-03-28
Release date:	2017-04-02

1VI

1VI
Name:	3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide
Formula:	C26 H25 F N4 O3 S
SMILES:	COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3[nH]c(SC)nc3c4ccc(F)cc4)c1
InChi:	InChI=1S/C26H25FN4O3S/c1-33-20-9-10-21(34-2)17(14-20)6-11-23(32)29-22-15-18(12-13-28-22)25-24(30-26(31-25)35-3)16-4-7-19(27)8-5-16/h4-5,7-10,12-15H,6,11H2,1-3H3,(H,30,31)(H,28,29,32)
Definition date:	2016-12-06
Last modified:	2017-03-28
Release date:	2017-04-02
Identifier:	3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-methylsulfanyl-1~{H}-imidazol-5-yl]pyridin-2-yl]propanamide

HL1

HL1
Name:	(2~{S},3~{R})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{H}-benzo[f]chromen-2-amine
Formula:	C21 H18 F3 N O3
SMILES:	COc1cc2ccc3O[CH]([CH](N)Cc3c2cc1OC)c4cc(F)c(F)cc4F
InChi:	InChI=1S/C21H18F3NO3/c1-26-19-5-10-3-4-18-12(11(10)8-20(19)27-2)7-17(25)21(28-18)13-6-15(23)16(24)9-14(13)22/h3-6,8-9,17,21H,7,25H2,1-2H3/t17-,21+/m0/s1
Definition date:	2016-04-13
Last modified:	2017-03-28
Release date:	2017-04-02
Identifier:	(2~{S},3~{R})-8,9-dimethoxy-3-[2,4,5-tris(fluoranyl)phenyl]-2,3-dihydro-1~{H}-benzo[f]chromen-2-amine

7O2

7O2
Name:	[(2~{S})-2-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4,4-diphenyl-butyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid
Formula:	C35 H40 N3 O4 P
SMILES:	N[CH](CCc1ccccc1)[P](O)(=O)C[CH](CC(c2ccccc2)c3ccccc3)C(=O)N[CH](Cc4ccccc4)C(N)=O
InChi:	InChI=1S/C35H40N3O4P/c36-33(22-21-26-13-5-1-6-14-26)43(41,42)25-30(35(40)38-32(34(37)39)23-27-15-7-2-8-16-27)24-31(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30-33H,21-25,36H2,(H2,37,39)(H,38,40)(H,41,42)/t30-,32+,33-/m1/s1
Definition date:	2016-11-30
Last modified:	2017-03-28
Release date:	2017-04-02
Identifier:	[(2~{S})-2-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-4,4-diphenyl-butyl]-[(1~{R})-1-azanyl-3-phenyl-propyl]phosphinic acid

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