Natural Product: NPC95240

Natural Product ID:  NPC95240
Common Name:   Pipestelide B
IUPAC Name:   (4R,7R,10S,13S,14Z,16R,17R,19S)-7-[(2-bromo-1H-indol-3-yl)methyl]-16-hydroxy-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-14-ene-2,6,9,12-tetrone
Synonyms:   Pipestelide B
Molecular Formula:   C36H45BrN4O7
Standard InCHIKey:  CMRONKDSBQEHJM-PVHGVTJGSA-N
Standard InCHI:  InChI=1S/C36H45BrN4O7/c1-19-15-21(3)34(45)38-23(5)36(47)41(6)30(17-27-26-9-7-8-10-28(26)39-33(27)37)35(46)40-29(24-11-13-25(42)14-12-24)18-31(43)48-22(4)16-20(2)32(19)44/h7-15,20-23,29-30,32,39,42,44H,16-18H2,1-6H3,(H,38,45)(H,40,46)/b19-15-/t20-,21+,22+,23+,29-,30-,32+/m1/s1
Canonical SMILES:  C[C@@H]1OC(=O)C[C@@H](N=C(O)[C@@H](Cc2c(Br)[nH]c3c2cccc3)N(C)C(=O)[C@@H](N=C([C@H](/C=C([C@@H]([C@@H](C1)C)O)/C)C)O)C)c1ccc(cc1)O
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
NPO33106 pipestela candelabra Species NA NA Pacific PMID[22364566]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens Inhibition = 0 % 20061160
NPT91 Cell Line KB Homo sapiens Inhibition = 100 % 25585025

  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 NPC95240 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
0.9951 High Similarity NPC100547
0.9902 High Similarity NPC322135
0.9902 High Similarity NPC321592
0.9902 High Similarity NPC223409
0.9902 High Similarity NPC54803
0.9901 High Similarity NPC261251
0.9901 High Similarity NPC118559
0.9901 High Similarity NPC124920
0.9901 High Similarity NPC34580
0.9901 High Similarity NPC304307
0.9854 High Similarity NPC14288
0.9852 High Similarity NPC214142
0.9663 High Similarity NPC284888
0.9617 High Similarity NPC33064
0.9617 High Similarity NPC245055
0.9481 High Similarity NPC82472
0.9409 High Similarity NPC74969
0.91 High Similarity NPC319232
0.91 High Similarity NPC24370
0.894 High Similarity NPC272549
0.8848 High Similarity NPC323198
0.8848 High Similarity NPC323752
0.88 High Similarity NPC181081
0.8325 Intermediate Similarity NPC243716
0.8206 Intermediate Similarity NPC326363
0.8085 Intermediate Similarity NPC314882
0.8062 Intermediate Similarity NPC325976
0.8027 Intermediate Similarity NPC125597
0.8 Intermediate Similarity NPC303658
0.8 Intermediate Similarity NPC306376
0.7991 Intermediate Similarity NPC330009
0.7973 Intermediate Similarity NPC473317
0.7939 Intermediate Similarity NPC220852
0.7913 Intermediate Similarity NPC28945
0.7901 Intermediate Similarity NPC315467
0.7897 Intermediate Similarity NPC476098
0.788 Intermediate Similarity NPC478158
0.7875 Intermediate Similarity NPC478006
0.7864 Intermediate Similarity NPC478157
0.7835 Intermediate Similarity NPC285343
0.7828 Intermediate Similarity NPC469928
0.7802 Intermediate Similarity NPC470784
0.7796 Intermediate Similarity NPC478009
0.7763 Intermediate Similarity NPC33949
0.7763 Intermediate Similarity NPC194740
0.7758 Intermediate Similarity NPC281049
0.7741 Intermediate Similarity NPC153400
0.7714 Intermediate Similarity NPC314056
0.7692 Intermediate Similarity NPC75634
0.7689 Intermediate Similarity NPC276517
0.7682 Intermediate Similarity NPC184680
0.7652 Intermediate Similarity NPC478010
0.765 Intermediate Similarity NPC470785
0.764 Intermediate Similarity NPC478011
0.764 Intermediate Similarity NPC321939
0.7634 Intermediate Similarity NPC305984
0.7621 Intermediate Similarity NPC478013
0.7617 Intermediate Similarity NPC475816
0.7613 Intermediate Similarity NPC207020
0.761 Intermediate Similarity NPC314176
0.7604 Intermediate Similarity NPC476874
0.7593 Intermediate Similarity NPC249040
0.7566 Intermediate Similarity NPC313804
0.7566 Intermediate Similarity NPC315804
0.7557 Intermediate Similarity NPC162860
0.7555 Intermediate Similarity NPC21638
0.7554 Intermediate Similarity NPC473105
0.7545 Intermediate Similarity NPC270918
0.7532 Intermediate Similarity NPC184225
0.7523 Intermediate Similarity NPC155143
0.7522 Intermediate Similarity NPC473041
0.7512 Intermediate Similarity NPC45459
0.7512 Intermediate Similarity NPC315491
0.7511 Intermediate Similarity NPC148183
0.7511 Intermediate Similarity NPC475720
0.7511 Intermediate Similarity NPC39679
0.7511 Intermediate Similarity NPC322064
0.7511 Intermediate Similarity NPC474192
0.7511 Intermediate Similarity NPC64216
0.7511 Intermediate Similarity NPC152768
0.751 Intermediate Similarity NPC477635
0.751 Intermediate Similarity NPC477630
0.75 Intermediate Similarity NPC471080
0.75 Intermediate Similarity NPC478012
0.75 Intermediate Similarity NPC54744
0.75 Intermediate Similarity NPC469592
0.7477 Intermediate Similarity NPC475506
0.7467 Intermediate Similarity NPC220851
0.7467 Intermediate Similarity NPC470501
0.7466 Intermediate Similarity NPC88008
0.7466 Intermediate Similarity NPC54420
0.7445 Intermediate Similarity NPC469594
0.7436 Intermediate Similarity NPC89987
0.7431 Intermediate Similarity NPC79129
0.7431 Intermediate Similarity NPC249150
0.7431 Intermediate Similarity NPC49196
0.7431 Intermediate Similarity NPC195461
0.7431 Intermediate Similarity NPC313985
0.7431 Intermediate Similarity NPC81654
0.7424 Intermediate Similarity NPC470502
0.7421 Intermediate Similarity NPC277350
0.7415 Intermediate Similarity NPC477549
0.7409 Intermediate Similarity NPC165599
0.7404 Intermediate Similarity NPC72980
0.7401 Intermediate Similarity NPC312645
0.7397 Intermediate Similarity NPC471944
0.7385 Intermediate Similarity NPC293917
0.7382 Intermediate Similarity NPC311906
0.7376 Intermediate Similarity NPC470500
0.7373 Intermediate Similarity NPC156704
0.7371 Intermediate Similarity NPC175474
0.7368 Intermediate Similarity NPC216369
0.7368 Intermediate Similarity NPC96321
0.7366 Intermediate Similarity NPC5145
0.7364 Intermediate Similarity NPC193761
0.736 Intermediate Similarity NPC125181
0.736 Intermediate Similarity NPC242872
0.736 Intermediate Similarity NPC263117
0.7359 Intermediate Similarity NPC470503
0.7359 Intermediate Similarity NPC51388
0.7358 Intermediate Similarity NPC94752
0.7357 Intermediate Similarity NPC183407
0.7353 Intermediate Similarity NPC474183
0.7348 Intermediate Similarity NPC60621
0.7339 Intermediate Similarity NPC50503
0.7339 Intermediate Similarity NPC473640
0.7339 Intermediate Similarity NPC52557
0.7339 Intermediate Similarity NPC186351
0.7333 Intermediate Similarity NPC23294
0.7333 Intermediate Similarity NPC87413
0.7321 Intermediate Similarity NPC107077
0.7321 Intermediate Similarity NPC223791
0.7321 Intermediate Similarity NPC219336
0.7319 Intermediate Similarity NPC474701
0.7316 Intermediate Similarity NPC478141
0.7313 Intermediate Similarity NPC477979
0.7313 Intermediate Similarity NPC50562
0.7313 Intermediate Similarity NPC118228
0.7311 Intermediate Similarity NPC94943
0.7309 Intermediate Similarity NPC244741
0.7309 Intermediate Similarity NPC53344
0.7308 Intermediate Similarity NPC471762
0.7297 Intermediate Similarity NPC473376
0.7294 Intermediate Similarity NPC262898
0.7293 Intermediate Similarity NPC264285
0.729 Intermediate Similarity NPC213629
0.7289 Intermediate Similarity NPC303951
0.7289 Intermediate Similarity NPC234999
0.7289 Intermediate Similarity NPC471304
0.7288 Intermediate Similarity NPC200553
0.7288 Intermediate Similarity NPC279189
0.7286 Intermediate Similarity NPC91179
0.7286 Intermediate Similarity NPC469896
0.7284 Intermediate Similarity NPC475271
0.7281 Intermediate Similarity NPC67658
0.7281 Intermediate Similarity NPC3207
0.7277 Intermediate Similarity NPC475910
0.7273 Intermediate Similarity NPC217372
0.7273 Intermediate Similarity NPC15573
0.7273 Intermediate Similarity NPC213308
0.7273 Intermediate Similarity NPC183662
0.7269 Intermediate Similarity NPC55493
0.7269 Intermediate Similarity NPC89508
0.7269 Intermediate Similarity NPC229348
0.7269 Intermediate Similarity NPC477610
0.7269 Intermediate Similarity NPC99666
0.7264 Intermediate Similarity NPC190007
0.726 Intermediate Similarity NPC102008
0.7258 Intermediate Similarity NPC475746
0.7248 Intermediate Similarity NPC179701
0.7244 Intermediate Similarity NPC476116
0.7243 Intermediate Similarity NPC469734
0.7241 Intermediate Similarity NPC477633
0.7238 Intermediate Similarity NPC15801
0.7236 Intermediate Similarity NPC189079
0.7229 Intermediate Similarity NPC472099
0.7227 Intermediate Similarity NPC241024
0.7227 Intermediate Similarity NPC97902
0.7227 Intermediate Similarity NPC100321
0.7225 Intermediate Similarity NPC475778
0.7222 Intermediate Similarity NPC473763
0.7222 Intermediate Similarity NPC117244
0.7217 Intermediate Similarity NPC212535
0.7215 Intermediate Similarity NPC243834
0.7215 Intermediate Similarity NPC63031
0.7215 Intermediate Similarity NPC70956
0.7209 Intermediate Similarity NPC102338
0.7209 Intermediate Similarity NPC111602
0.7209 Intermediate Similarity NPC196251
0.7209 Intermediate Similarity NPC63199
0.7205 Intermediate Similarity NPC476114
0.7202 Intermediate Similarity NPC81939
0.72 Intermediate Similarity NPC86834
0.72 Intermediate Similarity NPC210828
0.7198 Intermediate Similarity NPC474896
0.7197 Intermediate Similarity NPC162002
0.7195 Intermediate Similarity NPC473800
0.7195 Intermediate Similarity NPC214428
0.7193 Intermediate Similarity NPC151781
0.7193 Intermediate Similarity NPC74562

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC95240 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
0.8419 Intermediate Similarity NPD8405 Clinical (unspecified phase)
0.8018 Intermediate Similarity NPD6824 Clinical (unspecified phase)
0.7832 Intermediate Similarity NPD7603 Discontinued
0.7808 Intermediate Similarity NPD7470 Discontinued
0.7617 Intermediate Similarity NPD7948 Phase 1
0.7512 Intermediate Similarity NPD484 Approved
0.7511 Intermediate Similarity NPD7716 Approved
0.7511 Intermediate Similarity NPD7717 Approved
0.7488 Intermediate Similarity NPD6141 Clinical (unspecified phase)
0.7454 Intermediate Similarity NPD5003 Discontinued
0.7436 Intermediate Similarity NPD4885 Approved
0.7431 Intermediate Similarity NPD4601 Approved
0.7431 Intermediate Similarity NPD4600 Approved
0.7401 Intermediate Similarity NPD7823 Clinical (unspecified phase)
0.7391 Intermediate Similarity NPD8356 Approved
0.7385 Intermediate Similarity NPD7621 Clinical (unspecified phase)
0.7361 Intermediate Similarity NPD7944 Discontinued
0.7358 Intermediate Similarity NPD8255 Phase 2
0.7354 Intermediate Similarity NPD2916 Discontinued
0.7345 Intermediate Similarity NPD3243 Approved
0.7342 Intermediate Similarity NPD3003 Approved
0.7342 Intermediate Similarity NPD7853 Phase 2
0.7339 Intermediate Similarity NPD8430 Approved
0.7309 Intermediate Similarity NPD8322 Phase 2
0.7308 Intermediate Similarity NPD7710 Clinical (unspecified phase)
0.7297 Intermediate Similarity NPD8272 Phase 2
0.7293 Intermediate Similarity NPD7878 Phase 2
0.7293 Intermediate Similarity NPD5632 Approved
0.7277 Intermediate Similarity NPD6376 Discontinued
0.7276 Intermediate Similarity NPD8463 Approved
0.7273 Intermediate Similarity NPD8363 Approved
0.7273 Intermediate Similarity NPD8364 Approved
0.7265 Intermediate Similarity NPD7958 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD4862 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD7957 Phase 1
0.726 Intermediate Similarity NPD7778 Approved
0.726 Intermediate Similarity NPD7777 Approved
0.726 Intermediate Similarity NPD53 Approved
0.7252 Intermediate Similarity NPD6176 Phase 1
0.725 Intermediate Similarity NPD8017 Clinical (unspecified phase)
0.725 Intermediate Similarity NPD8016 Phase 3
0.7249 Intermediate Similarity NPD8406 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD8112 Clinical (unspecified phase)
0.7237 Intermediate Similarity NPD4897 Phase 2
0.7232 Intermediate Similarity NPD6838 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7225 Intermediate Similarity NPD8093 Discontinued
0.722 Intermediate Similarity NPD8114 Approved
0.722 Intermediate Similarity NPD8115 Approved
0.722 Intermediate Similarity NPD7712 Clinical (unspecified phase)
0.7216 Intermediate Similarity NPD8365 Clinical (unspecified phase)
0.7212 Intermediate Similarity NPD7809 Clinical (unspecified phase)
0.7205 Intermediate Similarity NPD5612 Discontinued
0.72 Intermediate Similarity NPD7947 Clinical (unspecified phase)
0.7192 Intermediate Similarity NPD8460 Approved
0.7192 Intermediate Similarity NPD8459 Approved
0.7191 Intermediate Similarity NPD7268 Clinical (unspecified phase)
0.719 Intermediate Similarity NPD6517 Phase 3
0.7181 Intermediate Similarity NPD8013 Clinical (unspecified phase)
0.7175 Intermediate Similarity NPD8072 Approved
0.7169 Intermediate Similarity NPD5512 Phase 3
0.7169 Intermediate Similarity NPD6449 Clinical (unspecified phase)
0.7163 Intermediate Similarity NPD2383 Phase 1
0.7162 Intermediate Similarity NPD7817 Phase 1
0.7162 Intermediate Similarity NPD7727 Phase 2
0.716 Intermediate Similarity NPD7955 Approved
0.716 Intermediate Similarity NPD7956 Approved
0.7156 Intermediate Similarity NPD8493 Clinical (unspecified phase)
0.7149 Intermediate Similarity NPD7594 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD8109 Clinical (unspecified phase)
0.7137 Intermediate Similarity NPD4900 Clinical (unspecified phase)
0.7137 Intermediate Similarity NPD7547 Clinical (unspecified phase)
0.7137 Intermediate Similarity NPD7998 Clinical (unspecified phase)
0.7136 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD7589 Clinical (unspecified phase)
0.7131 Intermediate Similarity NPD5483 Clinical (unspecified phase)
0.7119 Intermediate Similarity NPD7994 Phase 2
0.7117 Intermediate Similarity NPD4501 Approved
0.7117 Intermediate Similarity NPD4500 Approved
0.7113 Intermediate Similarity NPD5040 Clinical (unspecified phase)
0.7112 Intermediate Similarity NPD7194 Discontinued
0.7107 Intermediate Similarity NPD2921 Clinical (unspecified phase)
0.7104 Intermediate Similarity NPD8428 Approved
0.7104 Intermediate Similarity NPD8466 Approved
0.7104 Intermediate Similarity NPD8467 Approved
0.7104 Intermediate Similarity NPD8427 Approved
0.7104 Intermediate Similarity NPD8465 Approved
0.7104 Intermediate Similarity NPD8429 Approved
0.7102 Intermediate Similarity NPD8359 Phase 2
0.7097 Intermediate Similarity NPD4499 Approved
0.7097 Intermediate Similarity NPD2565 Phase 2
0.7097 Intermediate Similarity NPD2564 Approved
0.7087 Intermediate Similarity NPD5902 Approved
0.7087 Intermediate Similarity NPD5903 Approved
0.708 Intermediate Similarity NPD7453 Approved
0.708 Intermediate Similarity NPD7452 Approved
0.708 Intermediate Similarity NPD7222 Phase 2
0.7078 Intermediate Similarity NPD5575 Clinical (unspecified phase)
0.7076 Intermediate Similarity NPD8289 Discontinued
0.7072 Intermediate Similarity NPD2175 Phase 3
0.7072 Intermediate Similarity NPD1768 Approved
0.7072 Intermediate Similarity NPD2177 Approved
0.7072 Intermediate Similarity NPD2176 Approved
0.7063 Intermediate Similarity NPD7708 Approved
0.7056 Intermediate Similarity NPD5596 Phase 2
0.7054 Intermediate Similarity NPD8073 Approved
0.7051 Intermediate Similarity NPD5506 Approved
0.7051 Intermediate Similarity NPD5507 Approved
0.705 Intermediate Similarity NPD7181 Phase 3
0.7049 Intermediate Similarity NPD6716 Phase 1
0.7048 Intermediate Similarity NPD5658 Approved
0.7046 Intermediate Similarity NPD3259 Approved
0.7046 Intermediate Similarity NPD4086 Phase 1
0.7045 Intermediate Similarity NPD4418 Discontinued
0.7043 Intermediate Similarity NPD8094 Discontinued
0.7042 Intermediate Similarity NPD7790 Approved
0.7042 Intermediate Similarity NPD4373 Phase 2
0.7042 Intermediate Similarity NPD7558 Phase 2
0.7042 Intermediate Similarity NPD7950 Approved
0.7042 Intermediate Similarity NPD7951 Approved
0.7042 Intermediate Similarity NPD7789 Approved
0.7042 Intermediate Similarity NPD7791 Approved
0.7042 Intermediate Similarity NPD7952 Approved
0.7042 Intermediate Similarity NPD7953 Approved
0.704 Intermediate Similarity NPD8247 Approved
0.704 Intermediate Similarity NPD8246 Approved
0.7035 Intermediate Similarity NPD4901 Clinical (unspecified phase)
0.7032 Intermediate Similarity NPD6665 Discontinued
0.7029 Intermediate Similarity NPD7688 Phase 1
0.7029 Intermediate Similarity NPD8106 Phase 2
0.7029 Intermediate Similarity NPD7284 Clinical (unspecified phase)
0.7027 Intermediate Similarity NPD7946 Pre-registration
0.7026 Intermediate Similarity NPD5164 Discontinued
0.7021 Intermediate Similarity NPD6160 Clinical (unspecified phase)
0.702 Intermediate Similarity NPD7803 Approved
0.7016 Intermediate Similarity NPD5482 Discontinued
0.7013 Intermediate Similarity NPD7971 Clinical (unspecified phase)
0.7013 Intermediate Similarity NPD7970 Approved
0.7013 Intermediate Similarity NPD5417 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD7903 Clinical (unspecified phase)
0.7009 Intermediate Similarity NPD4511 Phase 1
0.7005 Intermediate Similarity NPD4948 Discontinued
0.7004 Intermediate Similarity NPD6290 Phase 2
0.7004 Intermediate Similarity NPD7426 Phase 1
0.7004 Intermediate Similarity NPD8358 Approved
0.7 Intermediate Similarity NPD7796 Approved
0.7 Intermediate Similarity NPD7797 Approved
0.6996 Remote Similarity NPD3814 Phase 1
0.6996 Remote Similarity NPD8425 Approved
0.6996 Remote Similarity NPD8426 Approved
0.6991 Remote Similarity NPD3946 Clinical (unspecified phase)
0.6991 Remote Similarity NPD8098 Approved
0.6991 Remote Similarity NPD5901 Discontinued
0.6987 Remote Similarity NPD4952 Phase 3
0.6986 Remote Similarity NPD2844 Phase 3
0.6979 Remote Similarity NPD7726 Phase 1
0.6977 Remote Similarity NPD2095 Phase 2
0.6977 Remote Similarity NPD2094 Phase 2
0.6977 Remote Similarity NPD2092 Phase 2
0.6975 Remote Similarity NPD7730 Approved
0.6975 Remote Similarity NPD7731 Approved
0.6972 Remote Similarity NPD6965 Clinical (unspecified phase)
0.6968 Remote Similarity NPD3324 Clinical (unspecified phase)
0.6966 Remote Similarity NPD6770 Approved
0.6963 Remote Similarity NPD6452 Discontinued
0.696 Remote Similarity NPD8403 Phase 1
0.696 Remote Similarity NPD7001 Phase 3
0.6957 Remote Similarity NPD5936 Approved
0.6957 Remote Similarity NPD4502 Phase 2
0.6957 Remote Similarity NPD5939 Approved
0.6952 Remote Similarity NPD1325 Approved
0.6952 Remote Similarity NPD1326 Approved
0.6951 Remote Similarity NPD7889 Clinical (unspecified phase)
0.6947 Remote Similarity NPD6991 Approved
0.6946 Remote Similarity NPD7780 Approved
0.6946 Remote Similarity NPD5559 Phase 2
0.6946 Remote Similarity NPD7781 Approved
0.6944 Remote Similarity NPD2096 Phase 2
0.6944 Remote Similarity NPD2091 Phase 2
0.6943 Remote Similarity NPD4520 Approved
0.6936 Remote Similarity NPD7180 Phase 3
0.6934 Remote Similarity NPD482 Approved
0.6933 Remote Similarity NPD3263 Phase 3
0.6933 Remote Similarity NPD7711 Discontinued
0.6926 Remote Similarity NPD8096 Phase 3
0.6926 Remote Similarity NPD6657 Clinical (unspecified phase)
0.6926 Remote Similarity NPD8097 Phase 3
0.6923 Remote Similarity NPD6985 Discontinued
0.692 Remote Similarity NPD8395 Approved
0.692 Remote Similarity NPD4118 Clinical (unspecified phase)
0.692 Remote Similarity NPD6248 Phase 2
0.692 Remote Similarity NPD8396 Approved
0.692 Remote Similarity NPD6249 Phase 2
0.6917 Remote Similarity NPD7824 Approved
0.6904 Remote Similarity NPD8292 Phase 2
0.6903 Remote Similarity NPD5721 Clinical (unspecified phase)
0.6901 Remote Similarity NPD749 Clinical (unspecified phase)
0.69 Remote Similarity NPD2510 Approved
0.69 Remote Similarity NPD7672 Approved
0.69 Remote Similarity NPD2509 Approved

Structure

External Identifiers

PubChem CID   57409352
ChEMBL   CHEMBL2041199
ZINC  

Physicochemical Properties

Molecular Weight:  724.25
ALogP:  -0.1623
MLogP:  4.1
XLogP:  4.946
# Rotatable Bonds:  14
Polar Surface Area:  168.04
# H-Bond Aceptor:  10
# H-Bond Donor:  5
# Rings:  4
# Heavy Atoms:  48

Download Data

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