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6MO

6MO
Name:	MOLYBDENUM(VI) ION
Formula:	Mo
SMILES:	[Mo+6]
InChi:	InChI=1S/Mo/q+6
Definition date:	1999-07-08
Last modified:	2020-05-30
Identifier:	molybdenum(6+)

2XN

2XN
Name:	N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide
Formula:	C20 H26 N6 O4 S3
SMILES:	O=S(=O)(NCCOc1c(OC)ccc(c1)c2nc(c(s2)C)C(Sc3nc(N)cc(n3)N)C)C
InChi:	InChI=1S/C20H26N6O4S3/c1-11-18(12(2)32-20-24-16(21)10-17(22)25-20)26-19(31-11)13-5-6-14(29-3)15(9-13)30-8-7-23-33(4,27)28/h5-6,9-10,12,23H,7-8H2,1-4H3,(H4,21,22,24,25)/t12-/m1/s1
Definition date:	2014-04-08
Last modified:	2020-05-30
Release date:	2014-11-05
Identifier:	N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide

ROG

ROG
Name:	2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Formula:	C17 H24 N4 S2
SMILES:	C1CCC(CN1C)CSc2nc(c3c(n2)sc4c3CCCC4)N
InChi:	InChI=1S/C17H24N4S2/c1-21-8-4-5-11(9-21)10-22-17-19-15(18)14-12-6-2-3-7-13(12)23-16(14)20-17/h11H,2-10H2,1H3,(H2,18,19,20)/t11-/m0/s1
Definition date:	2020-02-17
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine

RA7

RA7
Name:	[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
Formula:	C8 H12 N2 O2 S
SMILES:	C1CN(CCO1)c2sc(CO)cn2
InChi:	InChI=1S/C8H12N2O2S/c11-6-7-5-9-8(13-7)10-1-3-12-4-2-10/h5,11H,1-4,6H2
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol

RB7

RB7
Name:	N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine
Formula:	C11 H16 Br N O2 S
SMILES:	c1cc(Br)c(cc1CNCCS(C)(=O)=O)C
InChi:	InChI=1S/C11H16BrNO2S/c1-9-7-10(3-4-11(9)12)8-13-5-6-16(2,14)15/h3-4,7,13H,5-6,8H2,1-2H3
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine

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

PQ5

PQ5
Name:	7,10-Dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxylic acid
Formula:	C17 H16 N4 O4
SMILES:	OC(=O)c1ccc2cc1OCCOCCNc3ccn4ncc2c4n3
InChi:	InChI=1S/C17H16N4O4/c22-17(23)12-2-1-11-9-14(12)25-8-7-24-6-4-18-15-3-5-21-16(20-15)13(11)10-19-21/h1-3,5,9-10H,4,6-8H2,(H,18,20)(H,22,23)
Definition date:	2020-04-27
Last modified:	2020-05-29
Release date:	2020-06-03

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

Q7H

Q7H
Name:	11,15-Dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
Formula:	C25 H30 N6 O4
SMILES:	CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2O[CH]5CCOC=C5
InChi:	InChI=1S/C25H30N6O4/c1-30-8-3-9-31(2)22(32)15-34-21-12-18(4-5-20(21)35-19-6-10-33-11-7-19)29-25-23-17(14-30)13-26-24(23)27-16-28-25/h4-6,10,12-13,16,19H,3,7-9,11,14-15H2,1-2H3,(H2,26,27,28,29)/t19-/m1/s1
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

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

Q7K

Q7K
Name:	11,15-dimethyl-6-(oxan-4-yloxy)-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
Formula:	C25 H32 N6 O4
SMILES:	CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2OC5CCOCC5
InChi:	InChI=1S/C25H32N6O4/c1-30-8-3-9-31(2)22(32)15-34-21-12-18(4-5-20(21)35-19-6-10-33-11-7-19)29-25-23-17(14-30)13-26-24(23)27-16-28-25/h4-5,12-13,16,19H,3,6-11,14-15H2,1-2H3,(H2,26,27,28,29)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q7Q

Q7Q
Name:	6-(2-methoxyethoxy)-11-methyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
Formula:	C22 H28 N6 O4
SMILES:	COCCOc1ccc2Nc3ncnc4[nH]cc(CNCCCN(C)C(=O)COc1c2)c34
InChi:	InChI=1S/C22H28N6O4/c1-28-7-3-6-23-11-15-12-24-21-20(15)22(26-14-25-21)27-16-4-5-17(31-9-8-30-2)18(10-16)32-13-19(28)29/h4-5,10,12,14,23H,3,6-9,11,13H2,1-2H3,(H2,24,25,26,27)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

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

Q7Z

Q7Z
Name:	6-(2-methoxyethoxy)-11,15-dimethyl-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-10-one
Formula:	C23 H30 N6 O4
SMILES:	COCCOc1ccc2Nc3ncnc4[nH]cc(CN(C)CCCN(C)C(=O)COc1c2)c34
InChi:	InChI=1S/C23H30N6O4/c1-28-7-4-8-29(2)20(30)14-33-19-11-17(5-6-18(19)32-10-9-31-3)27-23-21-16(13-28)12-24-22(21)25-15-26-23/h5-6,11-12,15H,4,7-10,13-14H2,1-3H3,(H2,24,25,26,27)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

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

Q8B

Q8B
Name:	N-cyclopentyl-2-[(11,15-dimethyl-10-oxo-8-oxa-2,11,15,19,21,23-hexazatetracyclo[15.6.1.13,7.020,24]pentacosa-1(23),3(25),4,6,17,20(24),21-heptaen-6-yl)oxy]acetamide
Formula:	C27 H35 N7 O4
SMILES:	CN1CCCN(C)C(=O)COc2cc(Nc3ncnc4[nH]cc(C1)c34)ccc2OCC(=O)NC5CCCC5
InChi:	InChI=1S/C27H35N7O4/c1-33-10-5-11-34(2)24(36)16-38-22-12-20(32-27-25-18(14-33)13-28-26(25)29-17-30-27)8-9-21(22)37-15-23(35)31-19-6-3-4-7-19/h8-9,12-13,17,19H,3-7,10-11,14-16H2,1-2H3,(H,31,35)(H2,28,29,30,32)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

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