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UWS

UWS
Name:	6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one
Formula:	C10 H11 N3 O2
SMILES:	N=2N(Cc1cc(C)no1)C(C=CC=2C)=O
InChi:	InChI=1S/C10H11N3O2/c1-7-3-4-10(14)13(11-7)6-9-5-8(2)12-15-9/h3-5H,6H2,1-2H3
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one

UWV

UWV
Name:	2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline
Formula:	C10 H10 F N3
SMILES:	n2nc(CNc1ccccc1F)cc2
InChi:	InChI=1S/C10H10FN3/c11-9-3-1-2-4-10(9)12-7-8-5-6-13-14-8/h1-6,12H,7H2,(H,13,14)
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	2-fluoro-N-[(1H-pyrazol-3-yl)methyl]aniline

UWY

UWY
Name:	N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
Formula:	C11 H17 N3 O
SMILES:	N(c1cnn(c1)CC)C(=O)C2CCCC2
InChi:	InChI=1S/C11H17N3O/c1-2-14-8-10(7-12-14)13-11(15)9-5-3-4-6-9/h7-9H,2-6H2,1H3,(H,13,15)
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide

UX1

UX1
Name:	1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide
Formula:	C12 H14 F N O
SMILES:	c1(c(cccc1)F)CC2(CC2)C(NC)=O
InChi:	InChI=1S/C12H14FNO/c1-14-11(15)12(6-7-12)8-9-4-2-3-5-10(9)13/h2-5H,6-8H2,1H3,(H,14,15)
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide

UX7

UX7
Name:	N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
Formula:	C12 H12 N2 O2 S
SMILES:	N(C(=O)C1CC1)c2sc3c(n2)ccc(OC)c3
InChi:	InChI=1S/C12H12N2O2S/c1-16-8-4-5-9-10(6-8)17-12(13-9)14-11(15)7-2-3-7/h4-7H,2-3H2,1H3,(H,13,14,15)
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide

UXA

UXA
Name:	~{N}-cyclopropyl-1,3-benzodioxole-5-carboxamide
Formula:	C11 H11 N O3
SMILES:	c1(cc2c(cc1)OCO2)C(NC3CC3)=O
InChi:	InChI=1S/C11H11NO3/c13-11(12-8-2-3-8)7-1-4-9-10(5-7)15-6-14-9/h1,4-5,8H,2-3,6H2,(H,12,13)
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-cyclopropyl-2H-1,3-benzodioxole-5-carboxamide

UXD

UXD
Name:	(1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone
Formula:	C8 H11 N3 O
SMILES:	n1cc(cn1)C(N2CCCC2)=O
InChi:	InChI=1S/C8H11N3O/c12-8(7-5-9-10-6-7)11-3-1-2-4-11/h5-6H,1-4H2,(H,9,10)
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	(1H-pyrazol-4-yl)(pyrrolidin-1-yl)methanone

UXG

UXG
Name:	1-(diphenylmethyl)azetidin-3-ol
Formula:	C16 H17 N O
SMILES:	c1(ccccc1)C(c2ccccc2)N3CC(C3)O
InChi:	InChI=1S/C16H17NO/c18-15-11-17(12-15)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-16,18H,11-12H2
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	1-(diphenylmethyl)azetidin-3-ol

UXJ

UXJ
Name:	2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline
Formula:	C11 H12 F N3
SMILES:	n2cc(CNc1ccccc1F)c(n2)C
InChi:	InChI=1S/C11H12FN3/c1-8-9(7-14-15-8)6-13-11-5-3-2-4-10(11)12/h2-5,7,13H,6H2,1H3,(H,14,15)
Definition date:	2020-06-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline

X33

X33
Name:	Carborane inhibitor
Formula:	C5 H8 B10 N O2 S
SMILES:	N[S](=O)(=O)CCC[C++]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C+]3%15%18[B]47%14%16
InChi:	InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-5-4-6(5)8(4)9(4)7(4,5)11(5)10(5,6)12(6,8)14(8,9)13(7,9,11)15(10,11,12)14/h1-3H2,(H2,16,17,18)/q+3
Definition date:	2019-10-23
Last modified:	2020-06-12
Release date:	2020-06-17

Z7F

Z7F
Name:	trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid
Formula:	C33 H32 Cl F2 N O6 S
SMILES:	c2(OCc1c(cccc1F)Cl)cc3c(cc2)C4(C(CC3)N(CC4)C(=O)C5CCC(CC5)C(=O)O)S(c6ccc(cc6)F)(=O)=O
InChi:	InChI=1S/C33H32ClF2NO6S/c34-28-2-1-3-29(36)26(28)19-43-24-11-14-27-22(18-24)8-15-30-33(27,44(41,42)25-12-9-23(35)10-13-25)16-17-37(30)31(38)20-4-6-21(7-5-20)32(39)40/h1-3,9-14,18,20-21,30H,4-8,15-17,19H2,(H,39,40)/t20-,21-,30-,33-/m1/s1
Definition date:	2020-06-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	trans-4-{(3aR,9bR)-7-[(2-chloro-6-fluorophenyl)methoxy]-9b-[(4-fluorophenyl)sulfonyl]-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl}cyclohexane-1-carboxylic acid

UU1

UU1
Name:	2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol
Formula:	C5 H7 Br N2 O
SMILES:	n1cc(cn1CCO)Br
InChi:	InChI=1S/C5H7BrN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2
Definition date:	2020-06-02
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol

DT0

DT0
Name:	1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine
Formula:	C32 H54 N10 O5
SMILES:	NCCCC[CH]1NC(=O)Cc2cccc(CNC(=O)CCCNC(=O)[CH](CCCCNC(=O)[CH](CCCCN)NC1=O)NC(N)=N)c2
InChi:	InChI=1S/C32H54N10O5/c33-15-4-1-11-24-29(45)37-17-6-3-13-25(42-32(35)36)30(46)38-18-8-14-27(43)39-21-23-10-7-9-22(19-23)20-28(44)40-26(31(47)41-24)12-2-5-16-34/h7,9-10,19,24-26H,1-6,8,11-18,20-21,33-34H2,(H,37,45)(H,38,46)(H,39,43)(H,40,44)(H,41,47)(H4,35,36,42)/t24-,25+,26-/m0/s1
Definition date:	2019-08-23
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.3.1]octacosa-1(27),24(28),25-trien-10-yl]guanidine

I14

I14
Name:	N-(3-{[4-amino-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide
Formula:	C20 H21 N5 O2
SMILES:	c3(N)c1c(n(CCOC)cc1C#Cc2c(ccc(c2)NC(C)=O)C)ncn3
InChi:	InChI=1S/C20H21N5O2/c1-13-4-7-17(24-14(2)26)10-15(13)5-6-16-11-25(8-9-27-3)20-18(16)19(21)22-12-23-20/h4,7,10-12H,8-9H2,1-3H3,(H,24,26)(H2,21,22,23)
Definition date:	2020-04-13
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	N-(3-{[4-amino-7-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]ethynyl}-4-methylphenyl)acetamide

C2I

C2I
Name:	9-[(1R,6R,8R,9S,10R,15S,17R,18S)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3H-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3H-purin-6-one
Formula:	C20 H22 N8 O14 P2
SMILES:	O[CH]1[CH]2O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O[P](O)(=O)OC[CH]2O[CH]1n4cnc5C(=O)N=CNc45)n6cnc7C(=O)N=CNc67
InChi:	InChI=1S/C20H22N8O14P2/c29-11-13-7(39-19(11)27-5-25-9-15(27)21-3-23-17(9)31)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)30)28-6-26-10-16(28)22-4-24-18(10)32/h3-8,11-14,19-20,29-30H,1-2H2,(H,33,34)(H,35,36)(H,21,23,31)(H,22,24,32)/t7-,8+,11-,12-,13-,14-,19+,20+/m0/s1
Definition date:	2019-06-11
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	9-[(1~{R},6~{R},8~{R},9~{S},10~{R},15~{S},17~{R},18~{S})-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-17-(6-oxidanylidene-3~{H}-purin-9-yl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-3~{H}-purin-6-one

DUU

DUU
Name:	1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine
Formula:	C32 H54 N10 O5
SMILES:	NCCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)Cc2ccc(CNC(=O)CCCNC(=O)[CH](CCCCNC1=O)NC(N)=N)cc2
InChi:	InChI=1S/C32H54N10O5/c33-16-4-1-8-24-29(45)37-18-6-3-10-25(42-32(35)36)30(46)38-19-7-11-27(43)39-21-23-14-12-22(13-15-23)20-28(44)40-26(31(47)41-24)9-2-5-17-34/h12-15,24-26H,1-11,16-21,33-34H2,(H,37,45)(H,38,46)(H,39,43)(H,40,44)(H,41,47)(H4,35,36,42)/t24-,25+,26-/m0/s1
Definition date:	2019-09-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	1-[(10~{R},17~{S},20~{S})-17,20-bis(4-azanylbutyl)-4,9,16,19,22-pentakis(oxidanylidene)-3,8,15,18,21-pentazabicyclo[22.2.2]octacosa-1(26),24,27-trien-10-yl]guanidine

DV0

DV0
Name:	1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
Formula:	C31 H52 N10 O5
SMILES:	C[CH]1NC(=O)[CH](CCCCNC(=O)[CH](CCCCN)NC(=O)[CH](CCCCN)NC(=O)Cc2cccc(CNC1=O)c2)NC(N)=N
InChi:	InChI=1S/C31H52N10O5/c1-20-27(43)37-19-22-10-8-9-21(17-22)18-26(42)39-24(12-3-6-15-33)30(46)40-23(11-2-5-14-32)28(44)36-16-7-4-13-25(29(45)38-20)41-31(34)35/h8-10,17,20,23-25H,2-7,11-16,18-19,32-33H2,1H3,(H,36,44)(H,37,43)(H,38,45)(H,39,42)(H,40,46)(H4,34,35,41)/t20-,23+,24+,25-/m1/s1
Definition date:	2019-09-03
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	1-[(5~{R},8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-5-methyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine

KTW

KTW
Name:	4-chloranyl-1-benzothiophene-2-carboximidamide
Formula:	C9 H7 Cl N2 S
SMILES:	NC(=N)c1sc2cccc(Cl)c2c1
InChi:	InChI=1S/C9H7ClN2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H3,11,12)
Definition date:	2019-06-26
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-chloranyl-1-benzothiophene-2-carboximidamide

KDK

KDK
Name:	4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide
Formula:	C17 H21 N3 S
SMILES:	NC(=N)c1sc(CC2CCNCC2)c(c1)c3ccccc3
InChi:	InChI=1S/C17H21N3S/c18-17(19)16-11-14(13-4-2-1-3-5-13)15(21-16)10-12-6-8-20-9-7-12/h1-5,11-12,20H,6-10H2,(H3,18,19)
Definition date:	2019-05-14
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-phenyl-5-(piperidin-4-ylmethyl)thiophene-2-carboximidamide

KLB

KLB
Name:	5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide
Formula:	C14 H12 N4 S
SMILES:	NC(=N)c1sc(c2[nH]cnc2)c(c1)c3ccccc3
InChi:	InChI=1S/C14H12N4S/c15-14(16)12-6-10(9-4-2-1-3-5-9)13(19-12)11-7-17-8-18-11/h1-8H,(H3,15,16)(H,17,18)
Definition date:	2019-06-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide

KLE

KLE
Name:	5-phenylthiophene-2-carboximidamide
Formula:	C11 H10 N2 S
SMILES:	NC(=N)c1sc(cc1)c2ccccc2
InChi:	InChI=1S/C11H10N2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H3,12,13)
Definition date:	2019-06-05
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	5-phenylthiophene-2-carboximidamide

KM2

KM2
Name:	7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide
Formula:	C12 H16 N4 S
SMILES:	C[CH](CN)Nc1cccc2cc(sc12)C(N)=N
InChi:	InChI=1S/C12H16N4S/c1-7(6-13)16-9-4-2-3-8-5-10(12(14)15)17-11(8)9/h2-5,7,16H,6,13H2,1H3,(H3,14,15)/t7-/m0/s1
Definition date:	2019-06-07
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide

MYW

MYW
Name:	Nidocarborane
Formula:	C5 H8 B9 N O2 S
SMILES:	N[S](=O)(=O)CCC[C+]123[B]45[B+]67[B-]89[C]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15
InChi:	InChI=1S/C5H8B9NO2S/c15-18(16,17)3-1-2-5-4-6-8-7(5)11(5)9(4,5)10(4,6)12(6,8)13(7,8,11)14(9,10,11)12/h1-3H2,(H2,15,16,17)/q+1
Definition date:	2019-10-29
Last modified:	2020-06-12
Release date:	2020-06-17

LJW

LJW
Name:	4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide
Formula:	C13 H17 N3 O S
SMILES:	CNc1ccc(OC(C)C)c2sc(cc12)C(N)=N
InChi:	InChI=1S/C13H17N3OS/c1-7(2)17-10-5-4-9(16-3)8-6-11(13(14)15)18-12(8)10/h4-7,16H,1-3H3,(H3,14,15)
Definition date:	2019-08-20
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	4-(methylamino)-7-propan-2-yloxy-1-benzothiophene-2-carboximidamide

O7S

O7S
Name:	(3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione
Formula:	C30 H40 F N3 O6
SMILES:	C2(CC(Cc1nc(co1)C(N3C(C(OC(C(C)C)C(C=CC(=O)NCC=CC(=C2)C)C/C=C)=O)CCC3)=O)F)O
InChi:	InChI=1S/C30H40FN3O6/c1-5-8-21-11-12-26(36)32-13-6-9-20(4)15-23(35)16-22(31)17-27-33-24(18-39-27)29(37)34-14-7-10-25(34)30(38)40-28(21)19(2)3/h5-6,9,11-12,15,18-19,21-23,25,28,35H,1,7-8,10,13-14,16-17H2,2-4H3,(H,32,36)/b9-6+,12-11+,20-15+/t21-,22-,23-,25-,28-/m1/s1
Definition date:	2019-06-17
Last modified:	2020-06-12
Release date:	2020-06-17
Identifier:	(3R,4R,5E,10E,12E,14S,16R,26aR)-16-fluoro-14-hydroxy-12-methyl-3-(propan-2-yl)-4-(prop-2-en-1-yl)-3,4,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,7H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosine-1,7,22-trione

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