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QCG

QCG
Name:	(2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid
Formula:	C29 H30 F N3 O4
SMILES:	c2(c1c(OCCC1)c(F)cc2c5c(c(C)nc4cc(c3ccccc3)nn45)C(C(O)=O)OC(C)(C)C)C
InChi:	InChI=1S/C29H30FN3O4/c1-16-19-12-9-13-36-26(19)21(30)14-20(16)25-24(27(28(34)35)37-29(3,4)5)17(2)31-23-15-22(32-33(23)25)18-10-7-6-8-11-18/h6-8,10-11,14-15,27H,9,12-13H2,1-5H3,(H,34,35)/t27-/m0/s1
Definition date:	2019-10-14
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2S)-tert-butoxy[7-(8-fluoro-5-methyl-3,4-dihydro-2H-1-benzopyran-6-yl)-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]acetic acid

KJE

KJE
Name:	18-carboxymethoxy-cleaviminium
Formula:	C21 H25 N2 O2
SMILES:	CCC1=C[CH]2C[CH](C(=O)OC)C3=Nc4ccccc4[CH]3CC[N+](=C1)C2
InChi:	InChI=1S/C21H25N2O2/c1-3-14-10-15-11-18(21(24)25-2)20-17(8-9-23(12-14)13-15)16-6-4-5-7-19(16)22-20/h4-7,10,12,15,17-18H,3,8-9,11,13H2,1-2H3/q+1/t15-,17+,18+/m0/s1
Definition date:	2019-05-22
Last modified:	2020-02-28
Release date:	2020-03-04

KXW

KXW
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid
Formula:	C22 H31 N9 O5
SMILES:	N[CH](CCN(CCCNc1ccccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(O)=O
InChi:	InChI=1S/C22H31N9O5/c23-13(22(34)35)5-9-30(8-3-7-26-15-4-1-2-6-25-15)10-14-17(32)18(33)21(36-14)31-12-29-16-19(24)27-11-28-20(16)31/h1-2,4,6,11-14,17-18,21,32-33H,3,5,7-10,23H2,(H,25,26)(H,34,35)(H2,24,27,28)/t13-,14+,17+,18+,21+/m0/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-(pyridin-2-ylamino)propyl]amino]-2-azanyl-butanoic acid

KY2

KY2
Name:	1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine
Formula:	C17 H30 N10 O3
SMILES:	NCCCN(CCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C17H30N10O3/c18-3-1-5-26(6-2-4-22-17(20)21)7-10-12(28)13(29)16(30-10)27-9-25-11-14(19)23-8-24-15(11)27/h8-10,12-13,16,28-29H,1-7,18H2,(H2,19,23,24)(H4,20,21,22)/t10-,12-,13-,16-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	1-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]propyl]guanidine

KY5

KY5
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
Formula:	C21 H31 N9 O3
SMILES:	NCCCN(CCCNc1ccccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C21H31N9O3/c22-6-3-9-29(10-4-8-25-15-5-1-2-7-24-15)11-14-17(31)18(32)21(33-14)30-13-28-16-19(23)26-12-27-20(16)30/h1-2,5,7,12-14,17-18,21,31-32H,3-4,6,8-11,22H2,(H,24,25)(H2,23,26,27)/t14-,17-,18-,21-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyridin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol

KY8

KY8
Name:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol
Formula:	C20 H30 N10 O3
SMILES:	NCCCN(CCCNc1ncccn1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34
InChi:	InChI=1S/C20H30N10O3/c21-4-1-8-29(9-3-7-25-20-23-5-2-6-24-20)10-13-15(31)16(32)19(33-13)30-12-28-14-17(22)26-11-27-18(14)30/h2,5-6,11-13,15-16,19,31-32H,1,3-4,7-10,21H2,(H2,22,26,27)(H,23,24,25)/t13-,15-,16-,19-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-azanylpropyl-[3-(pyrimidin-2-ylamino)propyl]amino]methyl]oxolane-3,4-diol

KYB

KYB
Name:	1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine
Formula:	C19 H34 N10 O3
SMILES:	NCCCN(CCCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C19H34N10O3/c20-5-4-8-28(7-3-1-2-6-24-19(22)23)9-12-14(30)15(31)18(32-12)29-11-27-13-16(21)25-10-26-17(13)29/h10-12,14-15,18,30-31H,1-9,20H2,(H2,21,25,26)(H4,22,23,24)/t12-,14-,15-,18-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	1-[5-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]pentyl]guanidine

KYE

KYE
Name:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid
Formula:	C20 H34 N10 O5
SMILES:	N[CH](CCN(CCCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)C(O)=O
InChi:	InChI=1S/C20H34N10O5/c21-11(19(33)34)4-7-29(6-3-1-2-5-25-20(23)24)8-12-14(31)15(32)18(35-12)30-10-28-13-16(22)26-9-27-17(13)30/h9-12,14-15,18,31-32H,1-8,21H2,(H,33,34)(H2,22,26,27)(H4,23,24,25)/t11-,12+,14+,15+,18+/m0/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(5-carbamimidamidopentyl)amino]-2-azanyl-butanoic acid

KYH

KYH
Name:	1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine
Formula:	C18 H32 N10 O3
SMILES:	NCCCN(CCCCNC(N)=N)C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
InChi:	InChI=1S/C18H32N10O3/c19-4-3-7-27(6-2-1-5-23-18(21)22)8-11-13(29)14(30)17(31-11)28-10-26-12-15(20)24-9-25-16(12)28/h9-11,13-14,17,29-30H,1-8,19H2,(H2,20,24,25)(H4,21,22,23)/t11-,13-,14-,17-/m1/s1
Definition date:	2019-07-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	1-[4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(3-azanylpropyl)amino]butyl]guanidine

LKY

LKY
Name:	3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide
Formula:	C27 H31 F N4 O2
SMILES:	c1(c(cc(cc1CN2CC(C)N(CC2)C(C3CCCC3)=O)F)NC(=O)c4cc(ccc4)C#N)C
InChi:	InChI=1S/C27H31FN4O2/c1-18-16-31(10-11-32(18)27(34)21-7-3-4-8-21)17-23-13-24(28)14-25(19(23)2)30-26(33)22-9-5-6-20(12-22)15-29/h5-6,9,12-14,18,21H,3-4,7-8,10-11,16-17H2,1-2H3,(H,30,33)/t18-/m0/s1
Definition date:	2019-02-28
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide

LMV

LMV
Name:	(2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
Formula:	C24 H28 Cl2 N2 O4 S
SMILES:	CC(C)C[S](=O)(=O)NC(=O)c1ccc2O[CH](CN(CC3CCC3)c2c1)c4ccc(Cl)cc4Cl
InChi:	InChI=1S/C24H28Cl2N2O4S/c1-15(2)14-33(30,31)27-24(29)17-6-9-22-21(10-17)28(12-16-4-3-5-16)13-23(32-22)19-8-7-18(25)11-20(19)26/h6-11,15-16,23H,3-5,12-14H2,1-2H3,(H,27,29)/t23-/m1/s1
Definition date:	2019-03-04
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide

M3E

M3E
Name:	6-phenyl-1~{H}-pyrimidine-2,4-dione
Formula:	C10 H8 N2 O2
SMILES:	O=C1NC(=O)C=C(N1)c2ccccc2
InChi:	InChI=1S/C10H8N2O2/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)
Definition date:	2019-10-02
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-phenyl-1~{H}-pyrimidine-2,4-dione

M3Z

M3Z
Name:	6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
Formula:	C13 H15 N3 O2
SMILES:	CN(CC1=NC(=O)NC(=O)C1)Cc2ccccc2
InChi:	InChI=1S/C13H15N3O2/c1-16(8-10-5-3-2-4-6-10)9-11-7-12(17)15-13(18)14-11/h2-6H,7-9H2,1H3,(H,15,17,18)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-[[methyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione

M4B

M4B
Name:	6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one
Formula:	C11 H9 N3 O3
SMILES:	CC1=C(C(=NC(=O)N1)c2ccccc2)[N+]([O-])=O
InChi:	InChI=1S/C11H9N3O3/c1-7-10(14(16)17)9(13-11(15)12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13,15)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-methyl-5-nitro-4-phenyl-1~{H}-pyrimidin-2-one

M4K

M4K
Name:	6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
Formula:	C15 H17 N3 O2
SMILES:	O=C1CC(=NC(=O)N1)CN(Cc2ccccc2)C3CC3
InChi:	InChI=1S/C15H17N3O2/c19-14-8-12(16-15(20)17-14)10-18(13-6-7-13)9-11-4-2-1-3-5-11/h1-5,13H,6-10H2,(H,17,19,20)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-[[cyclopropyl-(phenylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione

M4N

M4N
Name:	~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide
Formula:	C11 H11 N3 O
SMILES:	CNC(=O)c1[nH]nc(c1)c2ccccc2
InChi:	InChI=1S/C11H11N3O/c1-12-11(15)10-7-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)(H,13,14)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-methyl-3-phenyl-1~{H}-pyrazole-5-carboxamide

M4Q

M4Q
Name:	6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione
Formula:	C11 H13 N3 O2 S
SMILES:	CN(CC1=NC(=O)NC(=O)C1)Cc2cscc2
InChi:	InChI=1S/C11H13N3O2S/c1-14(5-8-2-3-17-7-8)6-9-4-10(15)13-11(16)12-9/h2-3,7H,4-6H2,1H3,(H,13,15,16)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	6-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione

M5B

M5B
Name:	~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide
Formula:	C7 H7 N3 O2 S2
SMILES:	O=[S](=O)(Nc1[nH]ccn1)c2sccc2
InChi:	InChI=1S/C7H7N3O2S2/c11-14(12,6-2-1-5-13-6)10-7-8-3-4-9-7/h1-5H,(H2,8,9,10)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N}-(1~{H}-imidazol-2-yl)thiophene-2-sulfonamide

M5H

M5H
Name:	3-imidazolidin-2-yl-2~{H}-indazole
Formula:	C10 H12 N4
SMILES:	C1CNC(N1)c2[nH]nc3ccccc23
InChi:	InChI=1S/C10H12N4/c1-2-4-8-7(3-1)9(14-13-8)10-11-5-6-12-10/h1-4,10-12H,5-6H2,(H,13,14)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	3-imidazolidin-2-yl-2~{H}-indazole

M5N

M5N
Name:	4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one
Formula:	C11 H16 N2 O
SMILES:	CC(C)C1=NC(=O)N=C2CCCC[CH]12
InChi:	InChI=1S/C11H16N2O/c1-7(2)10-8-5-3-4-6-9(8)12-11(14)13-10/h7-8H,3-6H2,1-2H3/t8-/m0/s1
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	4-propan-2-yl-5,6,7,8-tetrahydro-4~{a}~{H}-quinazolin-2-one

M6Z

M6Z
Name:	5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide
Formula:	C9 H8 I N3 O
SMILES:	CNC(=O)c1n[nH]c2ccc(I)cc12
InChi:	InChI=1S/C9H8IN3O/c1-11-9(14)8-6-4-5(10)2-3-7(6)12-13-8/h2-4H,1H3,(H,11,14)(H,12,13)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	5-iodanyl-~{N}-methyl-1~{H}-indazole-3-carboxamide

M78

M78
Name:	~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide
Formula:	C12 H14 N2 O
SMILES:	CNC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChi:	InChI=1S/C12H14N2O/c1-7-8(2)14-11-5-4-9(6-10(7)11)12(15)13-3/h4-6,14H,1-3H3,(H,13,15)
Definition date:	2019-10-03
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	~{N},2,3-trimethyl-1~{H}-indole-5-carboxamide

MVK

MVK
Name:	4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid
Formula:	C23 H26 N2 O2
SMILES:	Cc1cc(C)c2[nH]ccc2c1CN3CCCC[CH]3c4ccc(cc4)C(O)=O
InChi:	InChI=1S/C23H26N2O2/c1-15-13-16(2)22-19(10-11-24-22)20(15)14-25-12-4-3-5-21(25)17-6-8-18(9-7-17)23(26)27/h6-11,13,21,24H,3-5,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1
Definition date:	2019-10-25
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid

MVQ

MVQ
Name:	(2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide
Formula:	C23 H27 N5 O3 S
SMILES:	CN1C(=O)c2nc(sc2N=C1C3CCOCC3)N4CCC[CH]4C(=O)NCc5ccccc5
InChi:	InChI=1S/C23H27N5O3S/c1-27-19(16-9-12-31-13-10-16)26-21-18(22(27)30)25-23(32-21)28-11-5-8-17(28)20(29)24-14-15-6-3-2-4-7-15/h2-4,6-7,16-17H,5,8-14H2,1H3,(H,24,29)/t17-/m1/s1
Definition date:	2019-10-25
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	(2~{R})-1-[6-methyl-5-(oxan-4-yl)-7-oxidanylidene-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-~{N}-(phenylmethyl)pyrrolidine-2-carboxamide

MVT

MVT
Name:	3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
Formula:	C19 H18 F3 N3 O2 S2
SMILES:	CC(C)[CH](Cc1sc(N[S](=O)(=O)c2cc(F)cc(F)c2)nn1)c3cccc(F)c3
InChi:	InChI=1S/C19H18F3N3O2S2/c1-11(2)17(12-4-3-5-13(20)6-12)10-18-23-24-19(28-18)25-29(26,27)16-8-14(21)7-15(22)9-16/h3-9,11,17H,10H2,1-2H3,(H,24,25)/t17-/m1/s1
Definition date:	2019-10-25
Last modified:	2020-02-28
Release date:	2020-03-04
Identifier:	3,5-bis(fluoranyl)-~{N}-[5-[(2~{R})-2-(3-fluorophenyl)-3-methyl-butyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide

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