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RBG

RBG
Name:	(2R)-N-tert-butylpiperidine-2-carboxamide
Formula:	C10 H20 N2 O
SMILES:	C(C1CCCCN1)(=O)NC(C)(C)C
InChi:	InChI=1S/C10H20N2O/c1-10(2,3)12-9(13)8-6-4-5-7-11-8/h8,11H,4-7H2,1-3H3,(H,12,13)/t8-/m1/s1
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(2R)-N-tert-butylpiperidine-2-carboxamide

SY4

SY4
Name:	~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide
Formula:	C9 H12 F2 N2 O2 S
SMILES:	CCC[S](=O)(=O)Nc1cc(N)c(F)cc1F
InChi:	InChI=1S/C9H12F2N2O2S/c1-2-3-16(14,15)13-9-5-8(12)6(10)4-7(9)11/h4-5,13H,2-3,12H2,1H3
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	~{N}-[5-azanyl-2,4-bis(fluoranyl)phenyl]propane-1-sulfonamide

SY7

SY7
Name:	2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine
Formula:	C28 H30 N6 O4
SMILES:	COc1cc(CN2[CH](N[CH]([CH]2c3ccnc(OC)c3)c4ccnc(OC)c4)c5ccnc(OC)c5)ccn1
InChi:	InChI=1S/C28H30N6O4/c1-35-22-13-18(5-9-29-22)17-34-27(20-7-11-31-24(15-20)37-3)26(19-6-10-30-23(14-19)36-2)33-28(34)21-8-12-32-25(16-21)38-4/h5-16,26-28,33H,17H2,1-4H3/t26-,27-,28-/m0/s1
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-methoxy-4-[[(4~{S},5~{S})-2,4,5-tris(2-methoxypyridin-4-yl)imidazolidin-1-yl]methyl]pyridine

SYG

SYG
Name:	2-[(1~{S})-1-azanylpropyl]phenol
Formula:	C9 H13 N O
SMILES:	CC[CH](N)c1ccccc1O
InChi:	InChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,11H,2,10H2,1H3/t8-/m0/s1
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[(1~{S})-1-azanylpropyl]phenol

SYJ

SYJ
Name:	2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide
Formula:	C11 H10 F N O3 S
SMILES:	Fc1ccccc1[S](=O)(=O)NCc2occc2
InChi:	InChI=1S/C11H10FNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide

SYV

SYV
Name:	6-azanyl-3-methyl-1,3-benzoxazol-2-one
Formula:	C8 H8 N2 O2
SMILES:	CN1C(=O)Oc2cc(N)ccc12
InChi:	InChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	6-azanyl-3-methyl-1,3-benzoxazol-2-one

SZ7

SZ7
Name:	~{N}-[(~{E})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide
Formula:	C9 H10 N2 O S
SMILES:	O=C(NN=Cc1sccc1)C2CC2
InChi:	InChI=1S/C9H10N2OS/c12-9(7-3-4-7)11-10-6-8-2-1-5-13-8/h1-2,5-7H,3-4H2,(H,11,12)/b10-6+
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	~{N}-[(~{E})-thiophen-2-ylmethylideneamino]cyclopropanecarboxamide

SZA

SZA
Name:	~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide
Formula:	C12 H12 N2 O S
SMILES:	O=C(NCCc1sccc1)c2ccncc2
InChi:	InChI=1S/C12H12N2OS/c15-12(10-3-6-13-7-4-10)14-8-5-11-2-1-9-16-11/h1-4,6-7,9H,5,8H2,(H,14,15)
Definition date:	2020-03-13
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	~{N}-(2-thiophen-2-ylethyl)pyridine-4-carboxamide

RD4

RD4
Name:	3-ethoxybenzene-1-carboximidamide
Formula:	C9 H12 N2 O
SMILES:	c1c(cc(C(=N)N)cc1)OCC
InChi:	InChI=1S/C9H12N2O/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H3,10,11)
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	3-ethoxybenzene-1-carboximidamide

RDJ

RDJ
Name:	N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Formula:	C9 H15 N3 O2 S
SMILES:	c1(SCC(=O)NCC)nnc(o1)C(C)C
InChi:	InChI=1S/C9H15N3O2S/c1-4-10-7(13)5-15-9-12-11-8(14-9)6(2)3/h6H,4-5H2,1-3H3,(H,10,13)
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

RDV

RDV
Name:	3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
Formula:	C12 H22 N2 O
SMILES:	C2C(CCC(=O)N1CCNCC1)CCC2
InChi:	InChI=1S/C12H22N2O/c15-12(14-9-7-13-8-10-14)6-5-11-3-1-2-4-11/h11,13H,1-10H2
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	3-cyclopentyl-1-(piperazin-1-yl)propan-1-one

RDY

RDY
Name:	N-[(benzyloxy)carbonyl]-N-methyl-L-alanine
Formula:	C12 H15 N O4
SMILES:	O(Cc1ccccc1)C(=O)N(C(C(O)=O)C)C
InChi:	InChI=1S/C12H15NO4/c1-9(11(14)15)13(2)12(16)17-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)/t9-/m0/s1
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	N-[(benzyloxy)carbonyl]-N-methyl-L-alanine

RE7

RE7
Name:	(1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine
Formula:	C13 H16 F N3
SMILES:	c1cc(ccc1F)C(NCCn2cccn2)C
InChi:	InChI=1S/C13H16FN3/c1-11(12-3-5-13(14)6-4-12)15-8-10-17-9-2-7-16-17/h2-7,9,11,15H,8,10H2,1H3/t11-/m1/s1
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine

REG

REG
Name:	1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
Formula:	C11 H20 N2 O2
SMILES:	O=C(NC[CH]1CCCO1)NC2CCCC2
InChi:	InChI=1S/C11H20N2O2/c14-11(13-9-4-1-2-5-9)12-8-10-6-3-7-15-10/h9-10H,1-8H2,(H2,12,13,14)/t10-/m0/s1
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea

U0A

U0A
Name:	11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Formula:	C22 H19 N3 O4 S2
SMILES:	c14c(cc(cc1)C(=O)NCCc2ccc(cc2)S(N)(=O)=O)NC(c3ccccc3S4)=O
InChi:	InChI=1S/C22H19N3O4S2/c23-31(28,29)16-8-5-14(6-9-16)11-12-24-21(26)15-7-10-20-18(13-15)25-22(27)17-3-1-2-4-19(17)30-20/h1-10,13H,11-12H2,(H,24,26)(H,25,27)(H2,23,28,29)
Definition date:	2020-04-06
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	11-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

RM7

RM7
Name:	2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide
Formula:	C20 H29 N5 O S2
SMILES:	C(CNC(CSc1nc(N)c2c(n1)sc3c2CCCCC3)=O)N4CCCCC4
InChi:	InChI=1S/C20H29N5OS2/c21-18-17-14-7-3-1-4-8-15(14)28-19(17)24-20(23-18)27-13-16(26)22-9-12-25-10-5-2-6-11-25/h1-13H2,(H,22,26)(H2,21,23,24)
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide

RMG

RMG
Name:	2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
Formula:	C19 H28 N4 S2
SMILES:	C1CCCCN1CCCSc2nc(N)c3c(n2)sc4c3CCCCC4
InChi:	InChI=1S/C19H28N4S2/c20-17-16-14-8-3-1-4-9-15(14)25-18(16)22-19(21-17)24-13-7-12-23-10-5-2-6-11-23/h1-13H2,(H2,20,21,22)
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine

RMJ

RMJ
Name:	2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide
Formula:	C18 H25 N5 O S2
SMILES:	C(CNC(CSc1nc(N)c2c(n1)sc3c2CCC3)=O)N4CCCCC4
InChi:	InChI=1S/C18H25N5OS2/c19-16-15-12-5-4-6-13(12)26-17(15)22-18(21-16)25-11-14(24)20-7-10-23-8-2-1-3-9-23/h1-11H2,(H,20,24)(H2,19,21,22)
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide

RMS

RMS
Name:	2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
Formula:	C17 H24 N4 S2
SMILES:	C4N(CCCSc1nc(N)c2c3c(sc2n1)CCC3)CCCC4
InChi:	InChI=1S/C17H24N4S2/c18-15-14-12-6-4-7-13(12)23-16(14)20-17(19-15)22-11-5-10-21-8-2-1-3-9-21/h1-11H2,(H2,18,19,20)
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine

RMV

RMV
Name:	2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
Formula:	C17 H25 N5 O S2
SMILES:	C(C)N(CCNC(CSc1nc(c2c(n1)sc3c2CCC3)N)=O)CC
InChi:	InChI=1S/C17H25N5OS2/c1-3-22(4-2)9-8-19-13(23)10-24-17-20-15(18)14-11-6-5-7-12(11)25-16(14)21-17/h3-10H2,1-2H3,(H,19,23)(H2,18,20,21)
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide

T9G

T9G
Name:	2-[(1R)-1-aminopropyl]phenol
Formula:	C9 H13 N O
SMILES:	c1cccc(O)c1C(N)CC
InChi:	InChI=1S/C9H13NO/c1-2-8(10)7-5-3-4-6-9(7)11/h3-6,8,11H,2,10H2,1H3/t8-/m1/s1
Definition date:	2020-03-18
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[(1R)-1-aminopropyl]phenol

RN4

RN4
Name:	(7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Formula:	C24 H30 N4 S2
SMILES:	C1CCCCN1CCCSc2nc(N)c5c(n2)sc3c5CCC(C3)c4ccccc4
InChi:	InChI=1S/C24H30N4S2/c25-22-21-19-11-10-18(17-8-3-1-4-9-17)16-20(19)30-23(21)27-24(26-22)29-15-7-14-28-12-5-2-6-13-28/h1,3-4,8-9,18H,2,5-7,10-16H2,(H2,25,26,27)/t18-/m0/s1
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine

RN7

RN7
Name:	2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide
Formula:	C18 H25 N5 O2 S2
SMILES:	C3Cc2c1c(N)nc(nc1sc2CC3)SCC(NCCN4CCOCC4)=O
InChi:	InChI=1S/C18H25N5O2S2/c19-16-15-12-3-1-2-4-13(12)27-17(15)22-18(21-16)26-11-14(24)20-5-6-23-7-9-25-10-8-23/h1-11H2,(H,20,24)(H2,19,21,22)
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide

E4A

E4A
Name:	(4S)-19-acetyl-4-[(1R)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Formula:	C35 H43 N3 O4
SMILES:	C2(Cc3cc(OCCCCNc1cc(cc(c1)C(C)=O)C(N2)=O)ccc3)C(CNC4(CC4)c5cc(ccc5)C(C)C)O
InChi:	InChI=1S/C35H43N3O4/c1-23(2)26-9-7-10-29(19-26)35(12-13-35)37-22-33(40)32-17-25-8-6-11-31(16-25)42-15-5-4-14-36-30-20-27(24(3)39)18-28(21-30)34(41)38-32/h6-11,16,18-21,23,32-33,36-37,40H,4-5,12-15,17,22H2,1-3H3,(H,38,41)/t32-,33+/m0/s1
Definition date:	2017-12-04
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(4S)-19-acetyl-4-[(1R)-1-hydroxy-2-({1-[3-(propan-2-yl)phenyl]cyclopropyl}amino)ethyl]-11-oxa-3,16-diazatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one

E4G

E4G
Name:	(4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one
Formula:	C34 H42 N2 O6
SMILES:	C2(Cc3cc(OCCCCOc1cc(cc(c1)OCC(C)=O)C(N2)=O)ccc3)C(CNCc4cc(ccc4)C(C)C)O
InChi:	InChI=1S/C34H42N2O6/c1-23(2)27-10-6-9-26(14-27)20-35-21-33(38)32-16-25-8-7-11-29(15-25)40-12-4-5-13-41-30-17-28(34(39)36-32)18-31(19-30)42-22-24(3)37/h6-11,14-15,17-19,23,32-33,35,38H,4-5,12-13,16,20-22H2,1-3H3,(H,36,39)/t32-,33+/m0/s1
Definition date:	2017-12-04
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(4S)-4-[(1R)-1-hydroxy-2-({[3-(propan-2-yl)phenyl]methyl}amino)ethyl]-19-(2-oxopropoxy)-11,16-dioxa-3-azatricyclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one

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