Natural Product: NPC98372

Natural Product ID:  NPC98372
Common Name:   Sid144211372
IUPAC Name:   2,6-ditert-butyl-4-methoxyphenol
Synonyms:  
Molecular Formula:   C15H24O2
Standard InCHIKey:  SLUKQUGVTITNSY-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H24O2/c1-14(2,3)11-8-10(17-7)9-12(13(11)16)15(4,5)6/h8-9,16H,1-7H3
Canonical SMILES:  COc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO4138.1 Betula platyphylla var. japonica Varieties Betulaceae Eukaryota bark PMID[9873651]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT2 Others Unspecified Activity = 71.8 % 10.3390/molecules16075618
NPT2 Others Unspecified Potency 43277.1 nM 8450319
NPT2 Others Unspecified Potency 54482.7 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Potency 43277.1 nM 22079864
NPT1 Others Radical scavenging activity Activity = 76 % 25148392
NPT233 Individual Protein Carbonic anhydrase II Homo sapiens Ki = 420 nM 10447959
NPT2 Others Unspecified Potency 38570.8 nM 22546674
NPT2 Others Unspecified Potency 68589.6 nM 17896816
NPT2 Others Unspecified Potency 54941 nM 19114678
NPT947 Individual Protein Carbonic anhydrase I Homo sapiens Ki = 63700 nM 9514009
NPT2 Others Unspecified Potency 30637.9 nM 18039011
NPT2 Others Unspecified Potency 21872.4 nM 19053514
NPT153 Individual Protein Androgen Receptor Homo sapiens Potency 30637.9 nM 24657567
NPT2 Others Unspecified Potency 38570.8 nM 13678412
NPT2 Others Unspecified Potency 54482.7 nM 6387056
NPT29 Organism Rattus norvegicus Rattus norvegicus Inhibition = 88 % 10869203
NPT2 Others Unspecified Potency 76958.8 nM 7752190
NPT74 Individual Protein Proto-oncogene c-JUN Homo sapiens Potency 24541.2 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Activity = 61.2 % 16378374
NPT2 Others Unspecified Potency 27306 nM DrugMatrix in vitro pharmacology data
NPT163 Individual Protein Nuclear factor NF-kappa-B p105 subunit Homo sapiens Potency 34665.4 nM DrugMatrix in vitro pharmacology data
NPT2 Others Unspecified Potency 61130.6 nM 3959033
NPT2 Others Unspecified Potency 27306 nM 10.1007/s00044-011-9918-4

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC98372 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.9714 High Similarity NPC275627
0.9333 High Similarity NPC233320
0.9135 High Similarity NPC269212
0.8929 High Similarity NPC69539
0.8879 High Similarity NPC30416
0.887 High Similarity NPC129176
0.886 High Similarity NPC32152
0.886 High Similarity NPC471449
0.885 High Similarity NPC238176
0.885 High Similarity NPC187993
0.8839 High Similarity NPC473718
0.8783 High Similarity NPC474131
0.8783 High Similarity NPC232295
0.8716 High Similarity NPC241549
0.8707 High Similarity NPC100108
0.8707 High Similarity NPC277798
0.8707 High Similarity NPC45663
0.8661 High Similarity NPC35344
0.8661 High Similarity NPC141003
0.8632 High Similarity NPC168707
0.8632 High Similarity NPC48623
0.8611 High Similarity NPC47284
0.8598 High Similarity NPC108497
0.8571 High Similarity NPC474920
0.8571 High Similarity NPC248557
0.8559 High Similarity NPC204535
0.8559 High Similarity NPC46586
0.8559 High Similarity NPC49441
0.8558 High Similarity NPC222146
0.8545 High Similarity NPC75440
0.8534 High Similarity NPC51341
0.8532 High Similarity NPC53740
0.8525 High Similarity NPC206028
0.8519 High Similarity NPC130817
0.8519 High Similarity NPC272029
0.8509 High Similarity NPC283169
0.8487 Intermediate Similarity NPC474130
0.8455 Intermediate Similarity NPC320439
0.8448 Intermediate Similarity NPC139047
0.8448 Intermediate Similarity NPC63010
0.8448 Intermediate Similarity NPC283616
0.8426 Intermediate Similarity NPC12870
0.8426 Intermediate Similarity NPC24327
0.8421 Intermediate Similarity NPC470837
0.8417 Intermediate Similarity NPC190086
0.8417 Intermediate Similarity NPC61685
0.8417 Intermediate Similarity NPC276962
0.8417 Intermediate Similarity NPC147896
0.8411 Intermediate Similarity NPC129373
0.8411 Intermediate Similarity NPC248396
0.8411 Intermediate Similarity NPC48730
0.8403 Intermediate Similarity NPC302211
0.8396 Intermediate Similarity NPC152097
0.8393 Intermediate Similarity NPC168657
0.839 Intermediate Similarity NPC96423
0.8387 Intermediate Similarity NPC258073
0.8364 Intermediate Similarity NPC155072
0.8364 Intermediate Similarity NPC469913
0.8348 Intermediate Similarity NPC808
0.8347 Intermediate Similarity NPC477213
0.8347 Intermediate Similarity NPC252962
0.8333 Intermediate Similarity NPC477685
0.832 Intermediate Similarity NPC27578
0.832 Intermediate Similarity NPC289624
0.832 Intermediate Similarity NPC85595
0.832 Intermediate Similarity NPC251549
0.8319 Intermediate Similarity NPC195873
0.8319 Intermediate Similarity NPC266937
0.8319 Intermediate Similarity NPC77772
0.8319 Intermediate Similarity NPC470770
0.8318 Intermediate Similarity NPC122005
0.8318 Intermediate Similarity NPC299762
0.8318 Intermediate Similarity NPC33675
0.8318 Intermediate Similarity NPC252821
0.8318 Intermediate Similarity NPC260775
0.8293 Intermediate Similarity NPC47288
0.8293 Intermediate Similarity NPC176590
0.8286 Intermediate Similarity NPC289769
0.8286 Intermediate Similarity NPC152415
0.8276 Intermediate Similarity NPC290470
0.8276 Intermediate Similarity NPC150624
0.8276 Intermediate Similarity NPC154256
0.8264 Intermediate Similarity NPC474237
0.825 Intermediate Similarity NPC135414
0.825 Intermediate Similarity NPC152946
0.8246 Intermediate Similarity NPC228452
0.8246 Intermediate Similarity NPC177962
0.8246 Intermediate Similarity NPC62867
0.8246 Intermediate Similarity NPC302371
0.8241 Intermediate Similarity NPC130756
0.8241 Intermediate Similarity NPC211885
0.8241 Intermediate Similarity NPC12931
0.8241 Intermediate Similarity NPC225506
0.8241 Intermediate Similarity NPC70677
0.824 Intermediate Similarity NPC153019
0.8235 Intermediate Similarity NPC473875
0.8235 Intermediate Similarity NPC475529
0.8224 Intermediate Similarity NPC470161
0.8224 Intermediate Similarity NPC475078
0.8214 Intermediate Similarity NPC68260
0.8214 Intermediate Similarity NPC279887
0.8214 Intermediate Similarity NPC201959
0.8211 Intermediate Similarity NPC477212
0.8211 Intermediate Similarity NPC477214
0.8211 Intermediate Similarity NPC477211
0.8211 Intermediate Similarity NPC319422
0.8208 Intermediate Similarity NPC144682
0.8205 Intermediate Similarity NPC33270
0.8205 Intermediate Similarity NPC50521
0.8205 Intermediate Similarity NPC69261
0.8205 Intermediate Similarity NPC221549
0.8205 Intermediate Similarity NPC244816
0.8198 Intermediate Similarity NPC54765
0.8198 Intermediate Similarity NPC113457
0.8197 Intermediate Similarity NPC133407
0.8197 Intermediate Similarity NPC28476
0.8197 Intermediate Similarity NPC4286
0.8197 Intermediate Similarity NPC76119
0.819 Intermediate Similarity NPC55903
0.819 Intermediate Similarity NPC232165
0.819 Intermediate Similarity NPC29373
0.819 Intermediate Similarity NPC301321
0.8189 Intermediate Similarity NPC27394
0.8182 Intermediate Similarity NPC475225
0.8182 Intermediate Similarity NPC475580
0.8182 Intermediate Similarity NPC474603
0.8182 Intermediate Similarity NPC12987
0.8167 Intermediate Similarity NPC476633
0.8167 Intermediate Similarity NPC475839
0.8165 Intermediate Similarity NPC252105
0.8165 Intermediate Similarity NPC12221
0.816 Intermediate Similarity NPC325003
0.8158 Intermediate Similarity NPC469912
0.8158 Intermediate Similarity NPC470723
0.8158 Intermediate Similarity NPC54373
0.8151 Intermediate Similarity NPC260832
0.8151 Intermediate Similarity NPC103916
0.8151 Intermediate Similarity NPC135467
0.8145 Intermediate Similarity NPC81261
0.8142 Intermediate Similarity NPC282855
0.8142 Intermediate Similarity NPC26013
0.8136 Intermediate Similarity NPC190514
0.813 Intermediate Similarity NPC245060
0.812 Intermediate Similarity NPC126759
0.812 Intermediate Similarity NPC312105
0.812 Intermediate Similarity NPC236070
0.812 Intermediate Similarity NPC242580
0.811 Intermediate Similarity NPC211352
0.8103 Intermediate Similarity NPC276737
0.8103 Intermediate Similarity NPC22610
0.8099 Intermediate Similarity NPC57199
0.8099 Intermediate Similarity NPC474864
0.8099 Intermediate Similarity NPC246967
0.8095 Intermediate Similarity NPC306074
0.8091 Intermediate Similarity NPC235762
0.8091 Intermediate Similarity NPC471228
0.8087 Intermediate Similarity NPC199462
0.8083 Intermediate Similarity NPC131868
0.8083 Intermediate Similarity NPC212559
0.808 Intermediate Similarity NPC59654
0.808 Intermediate Similarity NPC271832
0.808 Intermediate Similarity NPC266868
0.8073 Intermediate Similarity NPC72729
0.8073 Intermediate Similarity NPC174911
0.8073 Intermediate Similarity NPC130103
0.807 Intermediate Similarity NPC208229
0.807 Intermediate Similarity NPC132720
0.8067 Intermediate Similarity NPC184302
0.8065 Intermediate Similarity NPC21563
0.8056 Intermediate Similarity NPC474073
0.8056 Intermediate Similarity NPC77492
0.8056 Intermediate Similarity NPC79241
0.8056 Intermediate Similarity NPC6597
0.8053 Intermediate Similarity NPC169450
0.8053 Intermediate Similarity NPC95344
0.8049 Intermediate Similarity NPC293801
0.8049 Intermediate Similarity NPC105031
0.8049 Intermediate Similarity NPC470726
0.8036 Intermediate Similarity NPC164576
0.8036 Intermediate Similarity NPC310456
0.8034 Intermediate Similarity NPC167934
0.8034 Intermediate Similarity NPC53906
0.8033 Intermediate Similarity NPC261992
0.8031 Intermediate Similarity NPC51262
0.8017 Intermediate Similarity NPC476165
0.8017 Intermediate Similarity NPC251259
0.8017 Intermediate Similarity NPC28784
0.8017 Intermediate Similarity NPC296144
0.8017 Intermediate Similarity NPC285289
0.8016 Intermediate Similarity NPC196621
0.8016 Intermediate Similarity NPC475880
0.8016 Intermediate Similarity NPC196193
0.8 Intermediate Similarity NPC156840
0.8 Intermediate Similarity NPC472968
0.8 Intermediate Similarity NPC8547
0.8 Intermediate Similarity NPC257124
0.8 Intermediate Similarity NPC201069
0.8 Intermediate Similarity NPC80800
0.8 Intermediate Similarity NPC98804
0.8 Intermediate Similarity NPC173746

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC98372 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8762 High Similarity NPD289 Clinical (unspecified phase)
0.8673 High Similarity NPD6671 Approved
0.8571 High Similarity NPD6696 Suspended
0.8333 Intermediate Similarity NPD1398 Phase 1
0.8208 Intermediate Similarity NPD1809 Phase 2
0.8182 Intermediate Similarity NPD3600 Clinical (unspecified phase)
0.8151 Intermediate Similarity NPD4626 Approved
0.812 Intermediate Similarity NPD7340 Approved
0.8083 Intermediate Similarity NPD3496 Discontinued
0.8037 Intermediate Similarity NPD844 Approved
0.8036 Intermediate Similarity NPD968 Approved
0.8019 Intermediate Similarity NPD845 Approved
0.8 Intermediate Similarity NPD228 Approved
0.7984 Intermediate Similarity NPD6917 Clinical (unspecified phase)
0.7963 Intermediate Similarity NPD288 Approved
0.7944 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7931 Intermediate Similarity NPD7635 Approved
0.792 Intermediate Similarity NPD2861 Phase 2
0.7874 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.781 Intermediate Similarity NPD9295 Approved
0.7805 Intermediate Similarity NPD2232 Approved
0.7805 Intermediate Similarity NPD2233 Approved
0.7805 Intermediate Similarity NPD2230 Approved
0.7778 Intermediate Similarity NPD1138 Approved
0.7769 Intermediate Similarity NPD5691 Approved
0.7742 Intermediate Similarity NPD4749 Approved
0.7731 Intermediate Similarity NPD7157 Approved
0.7724 Intermediate Similarity NPD1611 Approved
0.7705 Intermediate Similarity NPD1778 Approved
0.7692 Intermediate Similarity NPD1137 Approved
0.7692 Intermediate Similarity NPD1139 Approved
0.7656 Intermediate Similarity NPD4625 Phase 3
0.7652 Intermediate Similarity NPD290 Approved
0.7634 Intermediate Similarity NPD4097 Suspended
0.7615 Intermediate Similarity NPD4060 Phase 1
0.7594 Intermediate Similarity NPD2935 Discontinued
0.7586 Intermediate Similarity NPD2684 Approved
0.7583 Intermediate Similarity NPD709 Approved
0.7578 Intermediate Similarity NPD600 Approved
0.7578 Intermediate Similarity NPD596 Approved
0.7563 Intermediate Similarity NPD5283 Phase 1
0.7559 Intermediate Similarity NPD4624 Approved
0.7542 Intermediate Similarity NPD6124 Clinical (unspecified phase)
0.7521 Intermediate Similarity NPD4750 Phase 3
0.75 Intermediate Similarity NPD3020 Approved
0.7481 Intermediate Similarity NPD3619 Clinical (unspecified phase)
0.7481 Intermediate Similarity NPD3620 Phase 2
0.748 Intermediate Similarity NPD1357 Approved
0.748 Intermediate Similarity NPD1651 Approved
0.7462 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.746 Intermediate Similarity NPD1669 Approved
0.744 Intermediate Similarity NPD1610 Phase 2
0.7417 Intermediate Similarity NPD7159 Clinical (unspecified phase)
0.7405 Intermediate Similarity NPD839 Approved
0.7405 Intermediate Similarity NPD840 Approved
0.7402 Intermediate Similarity NPD1283 Approved
0.7402 Intermediate Similarity NPD8651 Approved
0.7387 Intermediate Similarity NPD2860 Approved
0.7387 Intermediate Similarity NPD2859 Approved
0.7368 Intermediate Similarity NPD940 Approved
0.7368 Intermediate Similarity NPD846 Approved
0.7364 Intermediate Similarity NPD1712 Approved
0.7364 Intermediate Similarity NPD2237 Approved
0.735 Intermediate Similarity NPD2342 Discontinued
0.7339 Intermediate Similarity NPD5585 Approved
0.7333 Intermediate Similarity NPD821 Approved
0.7333 Intermediate Similarity NPD7843 Approved
0.7323 Intermediate Similarity NPD5327 Phase 3
0.7317 Intermediate Similarity NPD7644 Approved
0.7308 Intermediate Similarity NPD4908 Phase 1
0.7297 Intermediate Similarity NPD2933 Approved
0.7297 Intermediate Similarity NPD2934 Approved
0.7295 Intermediate Similarity NPD6387 Discontinued
0.7287 Intermediate Similarity NPD3691 Phase 2
0.7287 Intermediate Similarity NPD3690 Phase 2
0.7287 Intermediate Similarity NPD6584 Phase 3
0.728 Intermediate Similarity NPD2667 Approved
0.728 Intermediate Similarity NPD2668 Approved
0.7265 Intermediate Similarity NPD1445 Approved
0.7265 Intermediate Similarity NPD1444 Approved
0.7258 Intermediate Similarity NPD1548 Phase 1
0.7258 Intermediate Similarity NPD3091 Approved
0.7252 Intermediate Similarity NPD3027 Phase 3
0.7244 Intermediate Similarity NPD2235 Phase 2
0.7244 Intermediate Similarity NPD2231 Phase 2
0.7239 Intermediate Similarity NPD2157 Approved
0.7234 Intermediate Similarity NPD6090 Discontinued
0.7231 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7227 Intermediate Similarity NPD3021 Approved
0.7227 Intermediate Similarity NPD5451 Approved
0.7227 Intermediate Similarity NPD3022 Approved
0.7218 Intermediate Similarity NPD2238 Phase 2
0.7218 Intermediate Similarity NPD4140 Approved
0.7213 Intermediate Similarity NPD497 Approved
0.7206 Intermediate Similarity NPD6100 Approved
0.7206 Intermediate Similarity NPD6099 Approved
0.7176 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD1281 Approved
0.7164 Intermediate Similarity NPD5735 Approved
0.7155 Intermediate Similarity NPD9500 Approved
0.7131 Intermediate Similarity NPD498 Approved
0.7131 Intermediate Similarity NPD495 Approved
0.7131 Intermediate Similarity NPD496 Approved
0.7131 Intermediate Similarity NPD592 Approved
0.7131 Intermediate Similarity NPD594 Approved
0.7122 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.7121 Intermediate Similarity NPD7095 Approved
0.7111 Intermediate Similarity NPD6353 Approved
0.7109 Intermediate Similarity NPD1608 Approved
0.7103 Intermediate Similarity NPD111 Approved
0.709 Intermediate Similarity NPD1613 Approved
0.709 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7083 Intermediate Similarity NPD1792 Phase 2
0.7077 Intermediate Similarity NPD2797 Approved
0.7073 Intermediate Similarity NPD1791 Approved
0.7073 Intermediate Similarity NPD1793 Approved
0.7068 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7063 Intermediate Similarity NPD3444 Approved
0.7063 Intermediate Similarity NPD3443 Approved
0.7063 Intermediate Similarity NPD3445 Approved
0.7054 Intermediate Similarity NPD6582 Phase 2
0.7054 Intermediate Similarity NPD4379 Clinical (unspecified phase)
0.7054 Intermediate Similarity NPD6583 Phase 3
0.7054 Intermediate Similarity NPD4359 Approved
0.705 Intermediate Similarity NPD5698 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD3092 Approved
0.7031 Intermediate Similarity NPD776 Approved
0.7031 Intermediate Similarity NPD422 Phase 1
0.7031 Intermediate Similarity NPD3705 Approved
0.7031 Intermediate Similarity NPD1535 Discovery
0.7031 Intermediate Similarity NPD1091 Approved
0.7023 Intermediate Similarity NPD7905 Discontinued
0.7016 Intermediate Similarity NPD2557 Approved
0.7008 Intermediate Similarity NPD4589 Approved
0.7008 Intermediate Similarity NPD3019 Approved
0.7008 Intermediate Similarity NPD4059 Approved
0.7008 Intermediate Similarity NPD2932 Approved
0.7 Intermediate Similarity NPD7003 Approved
0.7 Intermediate Similarity NPD7976 Clinical (unspecified phase)
0.6992 Remote Similarity NPD1024 Discontinued
0.6991 Remote Similarity NPD9296 Approved
0.6984 Remote Similarity NPD7330 Discontinued
0.6977 Remote Similarity NPD1481 Phase 2
0.6975 Remote Similarity NPD3134 Approved
0.6972 Remote Similarity NPD7040 Clinical (unspecified phase)
0.6972 Remote Similarity NPD7041 Phase 2
0.6953 Remote Similarity NPD3847 Discontinued
0.6947 Remote Similarity NPD3094 Phase 2
0.694 Remote Similarity NPD7985 Registered
0.6935 Remote Similarity NPD593 Approved
0.6935 Remote Similarity NPD595 Approved
0.6929 Remote Similarity NPD4235 Clinical (unspecified phase)
0.6929 Remote Similarity NPD4196 Clinical (unspecified phase)
0.6923 Remote Similarity NPD3676 Clinical (unspecified phase)
0.6917 Remote Similarity NPD1358 Approved
0.6911 Remote Similarity NPD5535 Approved
0.6906 Remote Similarity NPD5762 Approved
0.6906 Remote Similarity NPD6006 Clinical (unspecified phase)
0.6906 Remote Similarity NPD5763 Approved
0.6906 Remote Similarity NPD6003 Clinical (unspecified phase)
0.6906 Remote Similarity NPD6004 Phase 3
0.6906 Remote Similarity NPD6005 Phase 3
0.6906 Remote Similarity NPD6002 Phase 3
0.6899 Remote Similarity NPD5350 Clinical (unspecified phase)
0.6899 Remote Similarity NPD5351 Clinical (unspecified phase)
0.6894 Remote Similarity NPD2798 Approved
0.6894 Remote Similarity NPD558 Phase 2
0.6892 Remote Similarity NPD5929 Approved
0.6891 Remote Similarity NPD9697 Approved
0.6889 Remote Similarity NPD2674 Phase 3
0.6875 Remote Similarity NPD2675 Approved
0.6875 Remote Similarity NPD3095 Discontinued
0.6875 Remote Similarity NPD1751 Approved
0.6875 Remote Similarity NPD17 Approved
0.6875 Remote Similarity NPD2676 Approved
0.6861 Remote Similarity NPD6653 Approved
0.685 Remote Similarity NPD1182 Approved
0.6846 Remote Similarity NPD3972 Approved
0.6846 Remote Similarity NPD1840 Phase 2
0.6842 Remote Similarity NPD5736 Approved
0.6838 Remote Similarity NPD2979 Phase 3
0.6838 Remote Similarity NPD1242 Phase 1
0.6838 Remote Similarity NPD2203 Discontinued
0.6835 Remote Similarity NPD4477 Approved
0.6835 Remote Similarity NPD4476 Approved
0.6835 Remote Similarity NPD6032 Approved
0.6825 Remote Similarity NPD9493 Approved
0.6825 Remote Similarity NPD7636 Approved
0.6822 Remote Similarity NPD3143 Discontinued
0.6818 Remote Similarity NPD4098 Discontinued
0.6815 Remote Similarity NPD3268 Approved
0.6815 Remote Similarity NPD1039 Discontinued
0.6809 Remote Similarity NPD5177 Phase 3
0.68 Remote Similarity NPD9614 Approved
0.68 Remote Similarity NPD9618 Approved
0.6797 Remote Similarity NPD3049 Approved
0.6794 Remote Similarity NPD3685 Discontinued
0.6788 Remote Similarity NPD3657 Discovery
0.6788 Remote Similarity NPD6355 Discontinued
0.6786 Remote Similarity NPD2346 Discontinued

Structure

External Identifiers

PubChem CID   10269
ChEMBL   CHEMBL98253
ZINC  

Physicochemical Properties

Molecular Weight:  236.18
ALogP:  2.6003
MLogP:  2.89
XLogP:  4.979
# Rotatable Bonds:  11
Polar Surface Area:  29.46
# H-Bond Aceptor:  0
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  17

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs