Natural Product: NPC286427

Natural Product ID:  NPC286427
Common Name:   n.a.
IUPAC Name:  
Synonyms:   Rel-Deschloro Hapalindole I
Molecular Formula:   C21H22N2
Standard InCHIKey:  OKONSTCTTRLPOR-BTYIYWSLSA-N
Standard InCHI:  InChI=1S/C21H22N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,23H,1,10-11H2,2-4H3/t15-,21-/m0/s1
Canonical SMILES:  [C-]#[N+]C1=C2c3c[nH]c4c3c(C([C@H]2CC[C@]1(C)C=C)(C)C)ccc4
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
NPO33270 westiellopsis sp. Species Hapalosiphonaceae Bacteria PMID[22863526]
NPO2286 Fischerella muscicola Species Hapalosiphonaceae Bacteria PMID[22863526]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT20 Organism Candida albicans Candida albicans MIC > 100000 nM DrugMatrix in vitro pharmacology data
NPT790 Organism Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv MIC > 100000 nM 15568791
NPT602 Organism Mycobacterium smegmatis Mycobacterium smegmatis MIC > 100000 nM 9873492
NPT189 Cell Line Vero Chlorocebus aethiops IC50 > 100000 nM 24582402
NPT19 Organism Escherichia coli Escherichia coli MIC > 100000 nM 12161151
NPT16 Organism Staphylococcus aureus Staphylococcus aureus MIC > 100000 nM 7069725
NPT747 Organism Acinetobacter baumannii Acinetobacter baumannii MIC > 100000 nM PubChem BioAssay data set

  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 NPC286427 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
0.9796 High Similarity NPC41257
0.94 High Similarity NPC206819
0.94 High Similarity NPC318065
0.94 High Similarity NPC56765
0.9 High Similarity NPC33421
0.8973 High Similarity NPC469780
0.8973 High Similarity NPC469767
0.8973 High Similarity NPC469783
0.8973 High Similarity NPC469761
0.8973 High Similarity NPC469784
0.8973 High Similarity NPC469779
0.8973 High Similarity NPC469768
0.8968 High Similarity NPC90723
0.8961 High Similarity NPC44773
0.8961 High Similarity NPC215584
0.8912 High Similarity NPC469766
0.8904 High Similarity NPC73767
0.8897 High Similarity NPC84911
0.8874 High Similarity NPC53947
0.8867 High Similarity NPC477134
0.8861 High Similarity NPC194411
0.8828 High Similarity NPC96102
0.8828 High Similarity NPC29886
0.8828 High Similarity NPC261195
0.8776 High Similarity NPC110126
0.8767 High Similarity NPC105127
0.8716 High Similarity NPC279081
0.8696 High Similarity NPC275305
0.8696 High Similarity NPC37423
0.8675 High Similarity NPC288838
0.865 High Similarity NPC176199
0.865 High Similarity NPC215795
0.8609 High Similarity NPC314372
0.86 High Similarity NPC190296
0.8591 High Similarity NPC230002
0.859 High Similarity NPC216643
0.8589 High Similarity NPC151939
0.8589 High Similarity NPC68354
0.8562 High Similarity NPC201700
0.8552 High Similarity NPC82295
0.8526 High Similarity NPC51054
0.8516 High Similarity NPC325903
0.8506 High Similarity NPC24678
0.8506 High Similarity NPC105818
0.8452 Intermediate Similarity NPC470233
0.8442 Intermediate Similarity NPC321911
0.8431 Intermediate Similarity NPC143872
0.84 Intermediate Similarity NPC312092
0.8397 Intermediate Similarity NPC469786
0.8397 Intermediate Similarity NPC469763
0.8397 Intermediate Similarity NPC469765
0.8397 Intermediate Similarity NPC469760
0.8397 Intermediate Similarity NPC25008
0.8397 Intermediate Similarity NPC259644
0.8397 Intermediate Similarity NPC73952
0.8377 Intermediate Similarity NPC469811
0.8377 Intermediate Similarity NPC179787
0.8377 Intermediate Similarity NPC471957
0.8377 Intermediate Similarity NPC201380
0.8375 Intermediate Similarity NPC162799
0.8373 Intermediate Similarity NPC300688
0.8366 Intermediate Similarity NPC159856
0.8344 Intermediate Similarity NPC80597
0.8344 Intermediate Similarity NPC70922
0.8344 Intermediate Similarity NPC2949
0.8344 Intermediate Similarity NPC212376
0.8344 Intermediate Similarity NPC211572
0.8344 Intermediate Similarity NPC75540
0.8312 Intermediate Similarity NPC63545
0.8302 Intermediate Similarity NPC135141
0.8302 Intermediate Similarity NPC92796
0.8299 Intermediate Similarity NPC475450
0.828 Intermediate Similarity NPC200214
0.8267 Intermediate Similarity NPC150259
0.8231 Intermediate Similarity NPC475428
0.8231 Intermediate Similarity NPC22079
0.8224 Intermediate Similarity NPC59084
0.8217 Intermediate Similarity NPC470823
0.8212 Intermediate Similarity NPC169433
0.8204 Intermediate Similarity NPC213468
0.82 Intermediate Similarity NPC325252
0.8198 Intermediate Similarity NPC95783
0.8176 Intermediate Similarity NPC469785
0.817 Intermediate Similarity NPC473868
0.817 Intermediate Similarity NPC63157
0.8165 Intermediate Similarity NPC141926
0.8163 Intermediate Similarity NPC473587
0.816 Intermediate Similarity NPC474561
0.816 Intermediate Similarity NPC49954
0.8148 Intermediate Similarity NPC317105
0.8146 Intermediate Similarity NPC314102
0.8146 Intermediate Similarity NPC251722
0.8141 Intermediate Similarity NPC21605
0.8133 Intermediate Similarity NPC198988
0.8125 Intermediate Similarity NPC469762
0.8121 Intermediate Similarity NPC473930
0.8113 Intermediate Similarity NPC34844
0.811 Intermediate Similarity NPC63751
0.8103 Intermediate Similarity NPC47190
0.8101 Intermediate Similarity NPC216713
0.8095 Intermediate Similarity NPC473762
0.8086 Intermediate Similarity NPC470203
0.8082 Intermediate Similarity NPC250361
0.8079 Intermediate Similarity NPC218268
0.8054 Intermediate Similarity NPC179365
0.8049 Intermediate Similarity NPC160105
0.8039 Intermediate Similarity NPC88097
0.8037 Intermediate Similarity NPC311276
0.8025 Intermediate Similarity NPC122141
0.8025 Intermediate Similarity NPC470204
0.8012 Intermediate Similarity NPC236711
0.8 Intermediate Similarity NPC316359
0.8 Intermediate Similarity NPC315617
0.7987 Intermediate Similarity NPC282398
0.7976 Intermediate Similarity NPC280852
0.7975 Intermediate Similarity NPC2272
0.7975 Intermediate Similarity NPC282231
0.7964 Intermediate Similarity NPC477611
0.795 Intermediate Similarity NPC184476
0.7941 Intermediate Similarity NPC314919
0.7931 Intermediate Similarity NPC41174
0.7927 Intermediate Similarity NPC40779
0.7927 Intermediate Similarity NPC194640
0.7914 Intermediate Similarity NPC279918
0.7908 Intermediate Similarity NPC125746
0.7904 Intermediate Similarity NPC201634
0.7898 Intermediate Similarity NPC316018
0.7898 Intermediate Similarity NPC314058
0.7871 Intermediate Similarity NPC115611
0.787 Intermediate Similarity NPC474958
0.7862 Intermediate Similarity NPC37548
0.7857 Intermediate Similarity NPC314603
0.7857 Intermediate Similarity NPC313791
0.7853 Intermediate Similarity NPC475990
0.7853 Intermediate Similarity NPC474880
0.7853 Intermediate Similarity NPC221786
0.7849 Intermediate Similarity NPC19679
0.7848 Intermediate Similarity NPC316069
0.7834 Intermediate Similarity NPC242556
0.7824 Intermediate Similarity NPC59269
0.7821 Intermediate Similarity NPC229332
0.7818 Intermediate Similarity NPC472587
0.7812 Intermediate Similarity NPC40070
0.7811 Intermediate Similarity NPC293216
0.7809 Intermediate Similarity NPC157828
0.7809 Intermediate Similarity NPC195239
0.7805 Intermediate Similarity NPC131718
0.7799 Intermediate Similarity NPC470111
0.7785 Intermediate Similarity NPC204141
0.7778 Intermediate Similarity NPC38736
0.7771 Intermediate Similarity NPC17751
0.7771 Intermediate Similarity NPC280864
0.7771 Intermediate Similarity NPC20144
0.7765 Intermediate Similarity NPC11445
0.7755 Intermediate Similarity NPC46358
0.775 Intermediate Similarity NPC187951
0.775 Intermediate Similarity NPC124005
0.7744 Intermediate Similarity NPC230869
0.7738 Intermediate Similarity NPC280548
0.7725 Intermediate Similarity NPC54988
0.7725 Intermediate Similarity NPC49217
0.7719 Intermediate Similarity NPC248454
0.7711 Intermediate Similarity NPC149265
0.7697 Intermediate Similarity NPC229173
0.7692 Intermediate Similarity NPC104483
0.7692 Intermediate Similarity NPC82331
0.7692 Intermediate Similarity NPC470498
0.7683 Intermediate Similarity NPC193740
0.7679 Intermediate Similarity NPC154293
0.7673 Intermediate Similarity NPC470440
0.767 Intermediate Similarity NPC317030
0.7669 Intermediate Similarity NPC470507
0.7665 Intermediate Similarity NPC274229
0.7657 Intermediate Similarity NPC280290
0.7636 Intermediate Similarity NPC6436
0.763 Intermediate Similarity NPC477042
0.7622 Intermediate Similarity NPC285469
0.7616 Intermediate Similarity NPC284775
0.7614 Intermediate Similarity NPC94752
0.7605 Intermediate Similarity NPC102423
0.76 Intermediate Similarity NPC228835
0.7586 Intermediate Similarity NPC470677
0.7586 Intermediate Similarity NPC233936
0.7584 Intermediate Similarity NPC27740
0.7582 Intermediate Similarity NPC265576
0.7576 Intermediate Similarity NPC167635
0.7576 Intermediate Similarity NPC129721
0.7572 Intermediate Similarity NPC11126
0.7571 Intermediate Similarity NPC204565
0.7562 Intermediate Similarity NPC285731
0.7561 Intermediate Similarity NPC476219
0.7557 Intermediate Similarity NPC476319
0.7557 Intermediate Similarity NPC308931
0.7557 Intermediate Similarity NPC99939
0.7557 Intermediate Similarity NPC15102
0.7554 Intermediate Similarity NPC300183
0.7545 Intermediate Similarity NPC225018
0.7545 Intermediate Similarity NPC16667
0.7543 Intermediate Similarity NPC163055
0.7532 Intermediate Similarity NPC284635

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC286427 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
0.9216 High Similarity NPD3323 Discontinued
0.8924 High Similarity NPD3610 Approved
0.8924 High Similarity NPD3609 Approved
0.8912 High Similarity NPD1722 Approved
0.8904 High Similarity NPD786 Approved
0.8874 High Similarity NPD2172 Phase 1
0.8828 High Similarity NPD198 Clinical (unspecified phase)
0.8808 High Similarity NPD4374 Clinical (unspecified phase)
0.8808 High Similarity NPD3100 Discontinued
0.8792 High Similarity NPD5254 Discontinued
0.8704 High Similarity NPD4181 Approved
0.8642 High Similarity NPD4075 Phase 2
0.8589 High Similarity NPD3506 Approved
0.8589 High Similarity NPD3505 Approved
0.858 High Similarity NPD4128 Approved
0.8562 High Similarity NPD4779 Clinical (unspecified phase)
0.8537 High Similarity NPD4076 Approved
0.8537 High Similarity NPD4079 Approved
0.8467 Intermediate Similarity NPD3943 Clinical (unspecified phase)
0.8438 Intermediate Similarity NPD5744 Clinical (unspecified phase)
0.8397 Intermediate Similarity NPD2837 Discontinued
0.8313 Intermediate Similarity NPD5315 Discontinued
0.8313 Intermediate Similarity NPD1853 Clinical (unspecified phase)
0.8294 Intermediate Similarity NPD3486 Clinical (unspecified phase)
0.8291 Intermediate Similarity NPD2580 Discontinued
0.8221 Intermediate Similarity NPD2640 Approved
0.8221 Intermediate Similarity NPD2641 Approved
0.8187 Intermediate Similarity NPD3961 Discontinued
0.8144 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.8137 Intermediate Similarity NPD1404 Approved
0.8137 Intermediate Similarity NPD1403 Approved
0.8118 Intermediate Similarity NPD3607 Clinical (unspecified phase)
0.8117 Intermediate Similarity NPD4637 Clinical (unspecified phase)
0.811 Intermediate Similarity NPD5069 Clinical (unspecified phase)
0.8077 Intermediate Similarity NPD1683 Approved
0.8072 Intermediate Similarity NPD4112 Clinical (unspecified phase)
0.8049 Intermediate Similarity NPD2642 Approved
0.8049 Intermediate Similarity NPD2639 Approved
0.8047 Intermediate Similarity NPD6277 Clinical (unspecified phase)
0.8038 Intermediate Similarity NPD4463 Approved
0.8038 Intermediate Similarity NPD4462 Approved
0.8026 Intermediate Similarity NPD1262 Discovery
0.8025 Intermediate Similarity NPD4547 Phase 3
0.8 Intermediate Similarity NPD2185 Clinical (unspecified phase)
0.8 Intermediate Similarity NPD4640 Approved
0.8 Intermediate Similarity NPD4639 Approved
0.8 Intermediate Similarity NPD4638 Approved
0.7987 Intermediate Similarity NPD3475 Approved
0.7987 Intermediate Similarity NPD3476 Approved
0.7977 Intermediate Similarity NPD8431 Approved
0.7966 Intermediate Similarity NPD2960 Clinical (unspecified phase)
0.7952 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7947 Intermediate Similarity NPD4030 Approved
0.7947 Intermediate Similarity NPD4029 Approved
0.7947 Intermediate Similarity NPD3385 Approved
0.7947 Intermediate Similarity NPD4028 Approved
0.7921 Intermediate Similarity NPD6664 Approved
0.7919 Intermediate Similarity NPD4426 Clinical (unspecified phase)
0.7917 Intermediate Similarity NPD5065 Approved
0.7905 Intermediate Similarity NPD2118 Approved
0.7905 Intermediate Similarity NPD2119 Approved
0.7888 Intermediate Similarity NPD977 Approved
0.7888 Intermediate Similarity NPD975 Approved
0.7888 Intermediate Similarity NPD976 Approved
0.7886 Intermediate Similarity NPD5145 Clinical (unspecified phase)
0.787 Intermediate Similarity NPD6375 Clinical (unspecified phase)
0.7834 Intermediate Similarity NPD1918 Clinical (unspecified phase)
0.7829 Intermediate Similarity NPD3944 Approved
0.7829 Intermediate Similarity NPD3942 Approved
0.78 Intermediate Similarity NPD3654 Approved
0.7791 Intermediate Similarity NPD1895 Discontinued
0.7785 Intermediate Similarity NPD992 Clinical (unspecified phase)
0.7785 Intermediate Similarity NPD991 Phase 2
0.7784 Intermediate Similarity NPD5021 Discontinued
0.7778 Intermediate Similarity NPD4880 Discontinued
0.7771 Intermediate Similarity NPD2007 Clinical (unspecified phase)
0.7771 Intermediate Similarity NPD2006 Phase 2
0.7771 Intermediate Similarity NPD2310 Clinical (unspecified phase)
0.7759 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD2430 Phase 2
0.7746 Intermediate Similarity NPD5105 Approved
0.7746 Intermediate Similarity NPD5106 Approved
0.7738 Intermediate Similarity NPD5436 Phase 1
0.7733 Intermediate Similarity NPD6595 Phase 3
0.773 Intermediate Similarity NPD2748 Clinical (unspecified phase)
0.7719 Intermediate Similarity NPD2144 Approved
0.7714 Intermediate Similarity NPD6217 Discontinued
0.7688 Intermediate Similarity NPD3038 Discontinued
0.7677 Intermediate Similarity NPD45 Approved
0.7677 Intermediate Similarity NPD6554 Approved
0.7622 Intermediate Similarity NPD2150 Discontinued
0.7605 Intermediate Similarity NPD3583 Phase 2
0.7576 Intermediate Similarity NPD2865 Clinical (unspecified phase)
0.7571 Intermediate Similarity NPD5590 Clinical (unspecified phase)
0.7561 Intermediate Similarity NPD2165 Phase 1
0.7543 Intermediate Similarity NPD1332 Clinical (unspecified phase)
0.7543 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7542 Intermediate Similarity NPD6180 Clinical (unspecified phase)
0.7528 Intermediate Similarity NPD8110 Clinical (unspecified phase)
0.7515 Intermediate Similarity NPD3112 Approved
0.7515 Intermediate Similarity NPD3115 Approved
0.7515 Intermediate Similarity NPD3114 Approved
0.7515 Intermediate Similarity NPD3113 Approved
0.7514 Intermediate Similarity NPD7619 Phase 3
0.7514 Intermediate Similarity NPD7618 Phase 3
0.75 Intermediate Similarity NPD3339 Approved
0.7486 Intermediate Similarity NPD1707 Approved
0.7486 Intermediate Similarity NPD1708 Approved
0.7485 Intermediate Similarity NPD5934 Clinical (unspecified phase)
0.7471 Intermediate Similarity NPD1327 Discontinued
0.747 Intermediate Similarity NPD1192 Clinical (unspecified phase)
0.7457 Intermediate Similarity NPD749 Clinical (unspecified phase)
0.7443 Intermediate Similarity NPD3318 Approved
0.7443 Intermediate Similarity NPD3320 Approved
0.7443 Intermediate Similarity NPD3319 Phase 1
0.744 Intermediate Similarity NPD2385 Clinical (unspecified phase)
0.7439 Intermediate Similarity NPD4641 Discontinued
0.7427 Intermediate Similarity NPD1326 Approved
0.7427 Intermediate Similarity NPD1325 Approved
0.7412 Intermediate Similarity NPD1248 Discontinued
0.741 Intermediate Similarity NPD473 Clinical (unspecified phase)
0.7399 Intermediate Similarity NPD3799 Suspended
0.7399 Intermediate Similarity NPD482 Approved
0.7389 Intermediate Similarity NPD1256 Approved
0.7389 Intermediate Similarity NPD1255 Approved
0.7389 Intermediate Similarity NPD6281 Approved
0.7389 Intermediate Similarity NPD1254 Approved
0.7389 Intermediate Similarity NPD1253 Approved
0.7386 Intermediate Similarity NPD4649 Clinical (unspecified phase)
0.7377 Intermediate Similarity NPD6278 Clinical (unspecified phase)
0.7368 Intermediate Similarity NPD9583 Approved
0.7368 Intermediate Similarity NPD2390 Clinical (unspecified phase)
0.7362 Intermediate Similarity NPD4703 Approved
0.7362 Intermediate Similarity NPD4702 Approved
0.7358 Intermediate Similarity NPD2075 Approved
0.7358 Intermediate Similarity NPD2070 Approved
0.7358 Intermediate Similarity NPD2072 Approved
0.7358 Intermediate Similarity NPD2071 Approved
0.7358 Intermediate Similarity NPD2073 Approved
0.7358 Intermediate Similarity NPD2074 Approved
0.7358 Intermediate Similarity NPD768 Clinical (unspecified phase)
0.7358 Intermediate Similarity NPD2068 Approved
0.7358 Intermediate Similarity NPD2069 Approved
0.7348 Intermediate Similarity NPD6630 Clinical (unspecified phase)
0.7345 Intermediate Similarity NPD2094 Phase 2
0.7345 Intermediate Similarity NPD2092 Phase 2
0.7345 Intermediate Similarity NPD2095 Phase 2
0.7329 Intermediate Similarity NPD4047 Discontinued
0.7303 Intermediate Similarity NPD2091 Phase 2
0.7303 Intermediate Similarity NPD2096 Phase 2
0.7301 Intermediate Similarity NPD1528 Clinical (unspecified phase)
0.729 Intermediate Similarity NPD715 Phase 3
0.7283 Intermediate Similarity NPD6828 Phase 2
0.7283 Intermediate Similarity NPD6827 Clinical (unspecified phase)
0.7278 Intermediate Similarity NPD6454 Clinical (unspecified phase)
0.7277 Intermediate Similarity NPD2125 Clinical (unspecified phase)
0.7268 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD270 Clinical (unspecified phase)
0.7267 Intermediate Similarity NPD268 Approved
0.7267 Intermediate Similarity NPD271 Approved
0.7251 Intermediate Similarity NPD4550 Clinical (unspecified phase)
0.7244 Intermediate Similarity NPD1251 Discontinued
0.7237 Intermediate Similarity NPD9357 Approved
0.7232 Intermediate Similarity NPD2479 Phase 3
0.7232 Intermediate Similarity NPD2481 Approved
0.723 Intermediate Similarity NPD9392 Approved
0.723 Intermediate Similarity NPD9396 Approved
0.7228 Intermediate Similarity NPD7024 Clinical (unspecified phase)
0.7226 Intermediate Similarity NPD947 Approved
0.7219 Intermediate Similarity NPD8248 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD7111 Discontinued
0.7213 Intermediate Similarity NPD3404 Approved
0.7211 Intermediate Similarity NPD269 Clinical (unspecified phase)
0.7208 Intermediate Similarity NPD1598 Discontinued
0.7207 Intermediate Similarity NPD7564 Discontinued
0.7191 Intermediate Similarity NPD5806 Clinical (unspecified phase)
0.7182 Intermediate Similarity NPD7394 Phase 2
0.7175 Intermediate Similarity NPD8386 Phase 2
0.7169 Intermediate Similarity NPD1029 Clinical (unspecified phase)
0.7169 Intermediate Similarity NPD1030 Approved
0.7169 Intermediate Similarity NPD1027 Approved
0.7167 Intermediate Similarity NPD1227 Phase 2
0.7159 Intermediate Similarity NPD3348 Phase 2
0.7151 Intermediate Similarity NPD7948 Phase 1
0.7143 Intermediate Similarity NPD750 Phase 2
0.7135 Intermediate Similarity NPD6771 Discontinued
0.7135 Intermediate Similarity NPD5473 Discontinued
0.7134 Intermediate Similarity NPD803 Phase 1
0.7128 Intermediate Similarity NPD8094 Discontinued
0.7127 Intermediate Similarity NPD2793 Discontinued
0.712 Intermediate Similarity NPD7958 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD4922 Phase 2
0.712 Intermediate Similarity NPD7957 Phase 1
0.712 Intermediate Similarity NPD4615 Phase 2
0.7117 Intermediate Similarity NPD4510 Discontinued
0.7104 Intermediate Similarity NPD6133 Discontinued
0.7101 Intermediate Similarity NPD6026 Approved
0.7091 Intermediate Similarity NPD7469 Discontinued
0.7086 Intermediate Similarity NPD3116 Approved
0.7086 Intermediate Similarity NPD3117 Approved

Structure

External Identifiers

PubChem CID   66553680
ChEMBL   CHEMBL2071355
ZINC  

Physicochemical Properties

Molecular Weight:  302.18
ALogP:  0.0421
MLogP:  3.55
XLogP:  5.316
# Rotatable Bonds:  4
Polar Surface Area:  20.15
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  4
# Heavy Atoms:  23

Download Data

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