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RCV

RCV
Name:	methyl [3-(aminomethyl)phenoxy]acetate
Formula:	C10 H13 N O3
SMILES:	c1ccc(CN)cc1OCC(=O)OC
InChi:	InChI=1S/C10H13NO3/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	methyl [3-(aminomethyl)phenoxy]acetate

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

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

RDM

RDM
Name:	(2R)-2-(acetylamino)-4-phenylbutanoic acid
Formula:	C12 H15 N O3
SMILES:	C(c1ccccc1)CC(C(=O)O)NC(=O)C
InChi:	InChI=1S/C12H15NO3/c1-9(14)13-11(12(15)16)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,13,14)(H,15,16)/t11-/m1/s1
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(2R)-2-(acetylamino)-4-phenylbutanoic acid

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

RE4

RE4
Name:	6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
Formula:	C11 H13 N5
SMILES:	c2(nc(NCc1cccnc1)cc(n2)C)N
InChi:	InChI=1S/C11H13N5/c1-8-5-10(16-11(12)15-8)14-7-9-3-2-4-13-6-9/h2-6H,7H2,1H3,(H3,12,14,15,16)
Definition date:	2020-02-10
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine

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

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

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

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

LQ8

LQ8
Name:	(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid
Formula:	C28 H30 N2 O7
SMILES:	OCCOc1cccc2[CH](CN3C(=O)c4ccccc4C3=O)N(CCc12)C(=O)[CH]5CCCC[CH]5C(O)=O
InChi:	InChI=1S/C28H30N2O7/c31-14-15-37-24-11-5-10-17-18(24)12-13-29(25(32)21-8-3-4-9-22(21)28(35)36)23(17)16-30-26(33)19-6-1-2-7-20(19)27(30)34/h1-2,5-7,10-11,21-23,31H,3-4,8-9,12-16H2,(H,35,36)/t21-,22+,23-/m1/s1
Definition date:	2019-08-30
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(1~{S},2~{R})-2-[[(1~{S})-1-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-(2-hydroxyethyloxy)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]cyclohexane-1-carboxylic acid

QNJ

QNJ
Name:	(3beta,5beta,14beta,17alpha)-cholestan-3-ol
Formula:	C27 H48 O
SMILES:	C1C3(C(CC(C1)O)CCC2C4C(CCC23)(C)C(CC4)C(CCCC(C)C)C)C
InChi:	InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
Definition date:	2019-11-25
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(3beta,5beta,14beta,17alpha)-cholestan-3-ol

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

QNP

QNP
Name:	(2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate
Formula:	C26 H51 O8 P
SMILES:	CCCCCCCCC(=O)OCC(COP(O)(=O)O)OC(CCCCCCCCCCCCC)=O
InChi:	InChI=1S/C26H51O8P/c1-3-5-7-9-11-12-13-14-15-17-19-21-26(28)34-24(23-33-35(29,30)31)22-32-25(27)20-18-16-10-8-6-4-2/h24H,3-23H2,1-2H3,(H2,29,30,31)/t24-/m0/s1
Definition date:	2019-11-25
Last modified:	2020-05-29
Release date:	2020-06-03
Identifier:	(2S)-1-(nonanoyloxy)-3-(phosphonooxy)propan-2-yl tetradecanoate

Q8K

Q8K
Name:	11-cyclopropyl-14-(2-hydroxyethyl)-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
Formula:	C22 H24 N6 O2
SMILES:	OCCN1C=CN(CCNC(=O)c2cccc(c2)c3cnn4ccc1nc34)C5CC5
InChi:	InChI=1S/C22H24N6O2/c29-13-12-27-11-10-26(18-4-5-18)9-7-23-22(30)17-3-1-2-16(14-17)19-15-24-28-8-6-20(27)25-21(19)28/h1-3,6,8,10-11,14-15,18,29H,4-5,7,9,12-13H2,(H,23,30)/b11-10+
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q8Q

Q8Q
Name:	11-methyl-8,11,14,18,19,22-hexazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2(23),3,5,15(22),16,19-heptaen-7-one
Formula:	C18 H20 N6 O
SMILES:	CN1CCNC(=O)c2cccc(c2)c3cnn4C=CC(=Nc34)NCC1
InChi:	InChI=1S/C18H20N6O/c1-23-9-6-19-16-5-8-24-17(22-16)15(12-21-24)13-3-2-4-14(11-13)18(25)20-7-10-23/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,19,22)(H,20,25)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q8T

Q8T
Name:	11,15-dimethyl-6-(4-methylpiperazin-1-yl)-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 H34 N8 O2
SMILES:	CN1CCN(CC1)c2ccc3Nc4ncnc5[nH]cc(CN(C)CCCN(C)C(=O)COc2c3)c45
InChi:	InChI=1S/C25H34N8O2/c1-30-9-11-33(12-10-30)20-6-5-19-13-21(20)35-16-22(34)32(3)8-4-7-31(2)15-18-14-26-24-23(18)25(29-19)28-17-27-24/h5-6,13-14,17H,4,7-12,15-16H2,1-3H3,(H2,26,27,28,29)
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q8W

Q8W
Name:	10-(2-morpholin-4-ylethyl)-7-oxa-10,13,17,18,21-pentazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene
Formula:	C22 H26 N6 O2
SMILES:	C1CN(CCN2CCOCC2)C=COc3cccc(c3)c4cnn5C=CC(=Nc45)N1
InChi:	InChI=1S/C22H26N6O2/c1-2-18-16-19(3-1)30-15-12-26(8-9-27-10-13-29-14-11-27)7-5-23-21-4-6-28-22(25-21)20(18)17-24-28/h1-4,6,12,15-17H,5,7-11,13-14H2,(H,23,25)/b15-12+
Definition date:	2020-05-26
Last modified:	2020-05-29
Release date:	2020-06-03

Q98

Q98
Name:	11-oxa-8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
Formula:	C17 H17 N5 O2
SMILES:	O=C1NCCOCCNc2ccn3ncc(c4cccc1c4)c3n2
InChi:	InChI=1S/C17H17N5O2/c23-17-13-3-1-2-12(10-13)14-11-20-22-7-4-15(21-16(14)22)18-5-8-24-9-6-19-17/h1-4,7,10-11H,5-6,8-9H2,(H,18,21)(H,19,23)
Definition date:	2020-05-27
Last modified:	2020-05-29
Release date:	2020-06-03

Q9B

Q9B
Name:	8,14,18,19,22-pentazatetracyclo[13.5.2.12,6.018,21]tricosa-1(21),2,4,6(23),15(22),16,19-heptaen-7-one
Formula:	C18 H19 N5 O
SMILES:	O=C1NCCCCCNc2ccn3ncc(c4cccc1c4)c3n2
InChi:	InChI=1S/C18H19N5O/c24-18-14-6-4-5-13(11-14)15-12-21-23-10-7-16(22-17(15)23)19-8-2-1-3-9-20-18/h4-7,10-12H,1-3,8-9H2,(H,19,22)(H,20,24)
Definition date:	2020-05-27
Last modified:	2020-05-29
Release date:	2020-06-03

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

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