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97Q

97Q
Name:	2,8-bis(trifluoromethyl)quinolin-4-ol
Formula:	C11 H5 F6 N O
SMILES:	Oc1cc(nc2c1cccc2C(F)(F)F)C(F)(F)F
InChi:	InChI=1S/C11H5F6NO/c12-10(13,14)6-3-1-2-5-7(19)4-8(11(15,16)17)18-9(5)6/h1-4H,(H,18,19)
Definition date:	2017-04-27
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2,8-bis(trifluoromethyl)quinolin-4-ol

97W

97W
Name:	7-(trifluoromethyl)quinolin-4-ol
Formula:	C10 H6 F3 N O
SMILES:	Oc1ccnc2cc(ccc12)C(F)(F)F
InChi:	InChI=1S/C10H6F3NO/c11-10(12,13)6-1-2-7-8(5-6)14-4-3-9(7)15/h1-5H,(H,14,15)
Definition date:	2017-04-28
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	7-(trifluoromethyl)quinolin-4-ol

98K

98K
Name:	2-chloranyl-1~{H}-benzimidazole
Formula:	C7 H5 Cl N2
SMILES:	Clc1[nH]c2ccccc2n1
InChi:	InChI=1S/C7H5ClN2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)
Definition date:	2017-04-28
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	2-chloranyl-1~{H}-benzimidazole

98T

98T
Name:	methyl 3-iodanyl-4-oxidanyl-benzoate
Formula:	C8 H7 I O3
SMILES:	COC(=O)c1ccc(O)c(I)c1
InChi:	InChI=1S/C8H7IO3/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4,10H,1H3
Definition date:	2017-04-28
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	methyl 3-iodanyl-4-oxidanyl-benzoate

98W

98W
Name:	dimethyl 5-oxidanylbenzene-1,3-dicarboxylate
Formula:	C10 H10 O5
SMILES:	COC(=O)c1cc(O)cc(c1)C(=O)OC
InChi:	InChI=1S/C10H10O5/c1-14-9(12)6-3-7(10(13)15-2)5-8(11)4-6/h3-5,11H,1-2H3
Definition date:	2017-04-28
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	dimethyl 5-oxidanylbenzene-1,3-dicarboxylate

98Z

98Z
Name:	1~{H}-indole-3-carbonitrile
Formula:	C9 H6 N2
SMILES:	N#Cc1c[nH]c2ccccc12
InChi:	InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
Definition date:	2017-04-28
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	1~{H}-indole-3-carbonitrile

AF6

AF6
Name:	N-benzyl-9H-beta-carbolin-3-amine
Formula:	C18 H15 N3
SMILES:	c1c4c(cc(n1)NCc2ccccc2)c3ccccc3n4
InChi:	InChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20)
Definition date:	2018-11-01
Last modified:	2021-06-25
Release date:	2021-06-30
Identifier:	N-benzyl-9H-beta-carbolin-3-amine

TDB

TDB
Name:	6-METHYL-2(PROPANE-1-SULFONYL)-2H-THIENO[3,2-D][1,2,3]DIAZABORININ-1-OL
Formula:	C9 H13 B N2 O3 S2
SMILES:	O=S(=O)(N1N=Cc2sc(cc2B1O)C)CCC
InChi:	InChI=1S/C9H13BN2O3S2/c1-3-4-17(14,15)12-10(13)8-5-7(2)16-9(8)6-11-12/h5-6,13H,3-4H2,1-2H3
Synonyms:	Diazaborine
Definition date:	1999-07-08
Last modified:	2021-06-23
Identifier:	6-methyl-2-(propylsulfonyl)thieno[3,2-d][1,2,3]diazaborinin-1(2H)-ol

XGJ

XGJ
Name:	(3S)-1,2,4-triazolidin-3-amine
Formula:	C2 H8 N4
SMILES:	NC1NNCN1
InChi:	InChI=1S/C2H8N4/c3-2-4-1-5-6-2/h2,4-6H,1,3H2/t2-/m1/s1
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3S)-1,2,4-triazolidin-3-amine

XGY

XGY
Name:	(4S)-1-methylimidazolidin-4-amine
Formula:	C4 H11 N3
SMILES:	CN1CC(NC1)N
InChi:	InChI=1S/C4H11N3/c1-7-2-4(5)6-3-7/h4,6H,2-3,5H2,1H3/t4-/m0/s1
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(4S)-1-methylimidazolidin-4-amine

XH1

XH1
Name:	N-propan-2-ylurea
Formula:	C4 H10 N2 O
SMILES:	CC(C)NC(N)=O
InChi:	InChI=1S/C4H10N2O/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	N-propan-2-ylurea

XH4

XH4
Name:	[(3R)-pyrazolidin-3-yl]methanol
Formula:	C4 H10 N2 O
SMILES:	OCC1NNCC1
InChi:	InChI=1S/C4H10N2O/c7-3-4-1-2-5-6-4/h4-7H,1-3H2/t4-/m1/s1
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	[(3R)-pyrazolidin-3-yl]methanol

XH7

XH7
Name:	(3R)-thiolane-3-carboxylic acid
Formula:	C5 H8 O2 S
SMILES:	O=C(O)C1CSCC1
InChi:	InChI=1S/C5H8O2S/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3R)-thiolane-3-carboxylic acid

XHD

XHD
Name:	2-cyanoacetamide
Formula:	C3 H4 N2 O
SMILES:	N#CCC(N)=O
InChi:	InChI=1S/C3H4N2O/c4-2-1-3(5)6/h1H2,(H2,5,6)
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	2-cyanoacetamide

XHG

XHG
Name:	1-[(2R)-oxolan-2-yl]methanamine
Formula:	C5 H11 N O
SMILES:	NCC1OCCC1
InChi:	InChI=1S/C5H11NO/c6-4-5-2-1-3-7-5/h5H,1-4,6H2
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	1-[(2R)-oxolan-2-yl]methanamine

XHJ

XHJ
Name:	(3S)-pyrazolidin-3-amine
Formula:	C3 H9 N3
SMILES:	NC1NNCC1
InChi:	InChI=1S/C3H9N3/c4-3-1-2-5-6-3/h3,5-6H,1-2,4H2/t3-/m0/s1
Definition date:	2020-12-16
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3S)-pyrazolidin-3-amine

YV4

YV4
Name:	(3S)-3-aminopyrrolidin-2-one
Formula:	C4 H8 N2 O
SMILES:	O=C1NCCC1N
InChi:	InChI=1S/C4H8N2O/c5-3-1-2-6-4(3)7/h3H,1-2,5H2,(H,6,7)/t3-/m0/s1
Definition date:	2021-04-01
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3S)-3-aminopyrrolidin-2-one

J2U

J2U
Name:	(2~{S})-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-2,3-dihydroinden-1-one
Formula:	C29 H24 O3
SMILES:	Oc1ccc(C[CH]2Cc3c(Cc4ccccc4)cc(cc3C2=O)c5ccc(O)cc5)cc1
InChi:	InChI=1S/C29H24O3/c30-25-10-6-20(7-11-25)15-24-18-27-23(14-19-4-2-1-3-5-19)16-22(17-28(27)29(24)32)21-8-12-26(31)13-9-21/h1-13,16-17,24,30-31H,14-15,18H2/t24-/m0/s1
Definition date:	2021-03-25
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(2~{S})-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-2,3-dihydroinden-1-one

J2X

J2X
Name:	(2~{S})-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-3~{H}-inden-1-one
Formula:	C30 H26 O4
SMILES:	OC[C]1(Cc2ccc(O)cc2)Cc3c(Cc4ccccc4)cc(cc3C1=O)c5ccc(O)cc5
InChi:	InChI=1S/C30H26O4/c31-19-30(17-21-6-10-25(32)11-7-21)18-28-24(14-20-4-2-1-3-5-20)15-23(16-27(28)29(30)34)22-8-12-26(33)13-9-22/h1-13,15-16,31-33H,14,17-19H2/t30-/m0/s1
Definition date:	2021-03-25
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(2~{S})-2-(hydroxymethyl)-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]-4-(phenylmethyl)-3~{H}-inden-1-one

XZM

XZM
Name:	N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
Formula:	C42 H40 F3 N7 O7 S5
SMILES:	N1(Cc2c(CC1)cccc2C(=O)Nc4nc3c(cccc3)s4)c8scc(C(NS(c5cc(S(=O)(C(F)(F)F)=O)c(cc5)NC(CCN6CCOCC6)CSc7ccccc7)(=O)=O)=O)n8
InChi:	InChI=1S/C42H40F3N7O7S5/c43-42(44,45)63(55,56)37-23-30(13-14-34(37)46-28(16-17-51-19-21-59-22-20-51)25-60-29-8-2-1-3-9-29)64(57,58)50-39(54)35-26-61-41(48-35)52-18-15-27-7-6-10-31(32(27)24-52)38(53)49-40-47-33-11-4-5-12-36(33)62-40/h1-14,23,26,28,46H,15-22,24-25H2,(H,50,54)(H,47,49,53)/t28-/m1/s1
Definition date:	2021-01-22
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	N-(1,3-benzothiazol-2-yl)-2-(4-{[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]carbamoyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

XJP

XJP
Name:	(2S,4R)-1,3-thiazolidine-2,4-diamine
Formula:	C3 H9 N3 S
SMILES:	NC1NC(SC1)N
InChi:	InChI=1S/C3H9N3S/c4-2-1-7-3(5)6-2/h2-3,6H,1,4-5H2/t2-,3+/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(2S,4R)-1,3-thiazolidine-2,4-diamine

XK1

XK1
Name:	1-[(4R)-1,3-oxazolidin-4-yl]methanamine
Formula:	C4 H10 N2 O
SMILES:	NCC1NCOC1
InChi:	InChI=1S/C4H10N2O/c5-1-4-2-7-3-6-4/h4,6H,1-3,5H2/t4-/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	1-[(4R)-1,3-oxazolidin-4-yl]methanamine

YXA

YXA
Name:	5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid
Formula:	C15 H12 Br N O3
SMILES:	OC(=O)c1cc(Cn2ccc3ccc(Br)cc32)oc1C
InChi:	InChI=1S/C15H12BrNO3/c1-9-13(15(18)19)7-12(20-9)8-17-5-4-10-2-3-11(16)6-14(10)17/h2-7H,8H2,1H3,(H,18,19)
Definition date:	2021-04-05
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	5-[(6-bromo-1H-indol-1-yl)methyl]-2-methylfuran-3-carboxylic acid

XK4

XK4
Name:	(3R)-1,2-oxazolidin-3-amine
Formula:	C3 H8 N2 O
SMILES:	NC1NOCC1
InChi:	InChI=1S/C3H8N2O/c4-3-1-2-6-5-3/h3,5H,1-2,4H2/t3-/m1/s1
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	(3R)-1,2-oxazolidin-3-amine

XK7

XK7
Name:	1-aminocyclopropane-1-carboxamide
Formula:	C4 H8 N2 O
SMILES:	NC(=O)C1(CC1)N
InChi:	InChI=1S/C4H8N2O/c5-3(7)4(6)1-2-4/h1-2,6H2,(H2,5,7)
Definition date:	2020-12-17
Last modified:	2021-06-18
Release date:	2021-06-23
Identifier:	1-aminocyclopropane-1-carboxamide

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