Natural Product: NPC24594

Natural Product ID:  NPC24594
Common Name:   Macrocarpine B
IUPAC Name:  
Synonyms:   Macrocarpine B
Molecular Formula:   C21H28N2O2
Standard InCHIKey:  IYRQKBCVJYGVMJ-YCFPOQHFSA-N
Standard InCHI:  InChI=1S/C21H28N2O2/c1-12-16(10-24)14-8-20-21-15(9-19(22(20)2)17(14)11-25-12)13-6-4-5-7-18(13)23(21)3/h4-7,12,14,16-17,19-20,24H,8-11H2,1-3H3/t12-,14-,16-,17+,19-,20-/m0/s1
Canonical SMILES:  OC[C@H]1[C@H](C)OC[C@@H]2[C@H]1C[C@@H]1N([C@H]2Cc2c1n(C)c1c2cccc1)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
NPO28762 Alstonia angustifolia Species Apocynaceae Eukaryota bark and leaf Pahang, Malaysia PMID[25211145]
NPO19678 Alstonia macrophylla Species Apocynaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens IC50 > 100000 nM 23806072
NPT91 Cell Line KB Homo sapiens IC50 > 25 ug/ml 25211145
NPT2 Others Unspecified IC50 > 25 ug/ml 25211145

  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 NPC24594 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
1.0 High Similarity NPC472122
0.9812 High Similarity NPC187827
0.9812 High Similarity NPC472105
0.9691 High Similarity NPC472110
0.9691 High Similarity NPC472109
0.9451 High Similarity NPC472108
0.9451 High Similarity NPC139291
0.9325 High Similarity NPC326575
0.9217 High Similarity NPC472104
0.9152 High Similarity NPC133261
0.8909 High Similarity NPC472123
0.8882 High Similarity NPC255229
0.8882 High Similarity NPC81229
0.8869 High Similarity NPC15840
0.8786 High Similarity NPC469470
0.8786 High Similarity NPC469501
0.8772 High Similarity NPC79062
0.8772 High Similarity NPC472107
0.8629 High Similarity NPC472097
0.8626 High Similarity NPC472111
0.8563 High Similarity NPC472323
0.8506 High Similarity NPC66210
0.8503 High Similarity NPC317430
0.8497 Intermediate Similarity NPC258480
0.8391 Intermediate Similarity NPC472119
0.8304 Intermediate Similarity NPC189812
0.8304 Intermediate Similarity NPC329688
0.8242 Intermediate Similarity NPC52557
0.8239 Intermediate Similarity NPC62510
0.8229 Intermediate Similarity NPC143533
0.8202 Intermediate Similarity NPC175474
0.8192 Intermediate Similarity NPC478077
0.8171 Intermediate Similarity NPC113626
0.8152 Intermediate Similarity NPC79129
0.8152 Intermediate Similarity NPC195461
0.8152 Intermediate Similarity NPC81654
0.8152 Intermediate Similarity NPC313985
0.8152 Intermediate Similarity NPC49196
0.8152 Intermediate Similarity NPC249150
0.815 Intermediate Similarity NPC121903
0.8132 Intermediate Similarity NPC245916
0.8125 Intermediate Similarity NPC19679
0.8107 Intermediate Similarity NPC469541
0.8081 Intermediate Similarity NPC158129
0.8066 Intermediate Similarity NPC472113
0.8056 Intermediate Similarity NPC472112
0.8054 Intermediate Similarity NPC249040
0.8046 Intermediate Similarity NPC203754
0.8046 Intermediate Similarity NPC150048
0.8043 Intermediate Similarity NPC50503
0.8 Intermediate Similarity NPC234987
0.8 Intermediate Similarity NPC211997
0.7978 Intermediate Similarity NPC57994
0.7978 Intermediate Similarity NPC289299
0.7976 Intermediate Similarity NPC129721
0.7963 Intermediate Similarity NPC20144
0.7956 Intermediate Similarity NPC95783
0.7943 Intermediate Similarity NPC134586
0.7937 Intermediate Similarity NPC474145
0.7937 Intermediate Similarity NPC475841
0.7861 Intermediate Similarity NPC254240
0.7861 Intermediate Similarity NPC128265
0.7861 Intermediate Similarity NPC312870
0.7861 Intermediate Similarity NPC294909
0.7861 Intermediate Similarity NPC199851
0.7838 Intermediate Similarity NPC472116
0.7812 Intermediate Similarity NPC469589
0.7811 Intermediate Similarity NPC285469
0.7778 Intermediate Similarity NPC472294
0.7778 Intermediate Similarity NPC104483
0.7772 Intermediate Similarity NPC475422
0.776 Intermediate Similarity NPC87755
0.7749 Intermediate Similarity NPC238457
0.7746 Intermediate Similarity NPC470508
0.7727 Intermediate Similarity NPC52254
0.7705 Intermediate Similarity NPC102338
0.7705 Intermediate Similarity NPC111602
0.7705 Intermediate Similarity NPC63199
0.7705 Intermediate Similarity NPC196251
0.7701 Intermediate Similarity NPC49954
0.7701 Intermediate Similarity NPC474561
0.7701 Intermediate Similarity NPC54988
0.7688 Intermediate Similarity NPC311276
0.7677 Intermediate Similarity NPC174788
0.766 Intermediate Similarity NPC149708
0.7647 Intermediate Similarity NPC207726
0.763 Intermediate Similarity NPC194881
0.763 Intermediate Similarity NPC16667
0.7622 Intermediate Similarity NPC473763
0.7622 Intermediate Similarity NPC117244
0.76 Intermediate Similarity NPC160105
0.7586 Intermediate Similarity NPC469813
0.7586 Intermediate Similarity NPC78375
0.7586 Intermediate Similarity NPC476446
0.7584 Intermediate Similarity NPC472586
0.7574 Intermediate Similarity NPC40070
0.7569 Intermediate Similarity NPC233936
0.7561 Intermediate Similarity NPC88097
0.7558 Intermediate Similarity NPC469762
0.7557 Intermediate Similarity NPC63751
0.7556 Intermediate Similarity NPC472443
0.7549 Intermediate Similarity NPC476492
0.7545 Intermediate Similarity NPC472100
0.7529 Intermediate Similarity NPC282231
0.7528 Intermediate Similarity NPC314603
0.7528 Intermediate Similarity NPC34508
0.7527 Intermediate Similarity NPC159125
0.7527 Intermediate Similarity NPC243716
0.7527 Intermediate Similarity NPC472444
0.7514 Intermediate Similarity NPC67056
0.7513 Intermediate Similarity NPC165349
0.7513 Intermediate Similarity NPC329708
0.7513 Intermediate Similarity NPC47059
0.7513 Intermediate Similarity NPC264176
0.7513 Intermediate Similarity NPC118832
0.7513 Intermediate Similarity NPC264166
0.7513 Intermediate Similarity NPC274291
0.7512 Intermediate Similarity NPC33949
0.75 Intermediate Similarity NPC151939
0.75 Intermediate Similarity NPC82070
0.75 Intermediate Similarity NPC126066
0.75 Intermediate Similarity NPC469785
0.7487 Intermediate Similarity NPC476114
0.7487 Intermediate Similarity NPC475910
0.7486 Intermediate Similarity NPC21174
0.7486 Intermediate Similarity NPC194640
0.7486 Intermediate Similarity NPC40779
0.7486 Intermediate Similarity NPC469938
0.7486 Intermediate Similarity NPC271797
0.7475 Intermediate Similarity NPC234078
0.7475 Intermediate Similarity NPC469592
0.7475 Intermediate Similarity NPC471080
0.7475 Intermediate Similarity NPC471506
0.7475 Intermediate Similarity NPC221100
0.7474 Intermediate Similarity NPC102008
0.7473 Intermediate Similarity NPC314394
0.7471 Intermediate Similarity NPC279918
0.746 Intermediate Similarity NPC231342
0.7459 Intermediate Similarity NPC219336
0.7459 Intermediate Similarity NPC248462
0.7458 Intermediate Similarity NPC154293
0.7458 Intermediate Similarity NPC201700
0.7449 Intermediate Similarity NPC477548
0.7442 Intermediate Similarity NPC470507
0.7436 Intermediate Similarity NPC53344
0.7432 Intermediate Similarity NPC163055
0.7424 Intermediate Similarity NPC472098
0.7418 Intermediate Similarity NPC300688
0.7418 Intermediate Similarity NPC469896
0.7416 Intermediate Similarity NPC280548
0.7414 Intermediate Similarity NPC230869
0.7414 Intermediate Similarity NPC221786
0.7414 Intermediate Similarity NPC84508
0.7414 Intermediate Similarity NPC474880
0.7413 Intermediate Similarity NPC281049
0.7413 Intermediate Similarity NPC469594
0.7409 Intermediate Similarity NPC476874
0.7405 Intermediate Similarity NPC474707
0.7403 Intermediate Similarity NPC14325
0.7403 Intermediate Similarity NPC183662
0.7403 Intermediate Similarity NPC217372
0.7403 Intermediate Similarity NPC28848
0.7403 Intermediate Similarity NPC15573
0.7402 Intermediate Similarity NPC475271
0.7384 Intermediate Similarity NPC259644
0.7384 Intermediate Similarity NPC73952
0.7384 Intermediate Similarity NPC469763
0.7384 Intermediate Similarity NPC469760
0.7384 Intermediate Similarity NPC469765
0.7384 Intermediate Similarity NPC25008
0.7384 Intermediate Similarity NPC469786
0.7377 Intermediate Similarity NPC71037
0.7374 Intermediate Similarity NPC126492
0.7371 Intermediate Similarity NPC229173
0.7366 Intermediate Similarity NPC119700
0.7366 Intermediate Similarity NPC204565
0.7363 Intermediate Similarity NPC270009
0.7358 Intermediate Similarity NPC475506
0.7354 Intermediate Similarity NPC474177
0.7353 Intermediate Similarity NPC21605
0.7351 Intermediate Similarity NPC188387
0.7351 Intermediate Similarity NPC163421
0.7345 Intermediate Similarity NPC472106
0.7341 Intermediate Similarity NPC80597
0.7341 Intermediate Similarity NPC211572
0.7341 Intermediate Similarity NPC70922
0.7341 Intermediate Similarity NPC75540
0.7341 Intermediate Similarity NPC212376
0.7341 Intermediate Similarity NPC476219
0.734 Intermediate Similarity NPC472099
0.7326 Intermediate Similarity NPC173028
0.7326 Intermediate Similarity NPC65215
0.732 Intermediate Similarity NPC155143
0.732 Intermediate Similarity NPC328596
0.732 Intermediate Similarity NPC328318
0.732 Intermediate Similarity NPC193761
0.7317 Intermediate Similarity NPC198988
0.7316 Intermediate Similarity NPC19692
0.7316 Intermediate Similarity NPC220151
0.7314 Intermediate Similarity NPC475990

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC24594 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
0.8152 Intermediate Similarity NPD4601 Approved
0.8152 Intermediate Similarity NPD4600 Approved
0.815 Intermediate Similarity NPD6375 Clinical (unspecified phase)
0.7978 Intermediate Similarity NPD4602 Approved
0.7872 Intermediate Similarity NPD5721 Clinical (unspecified phase)
0.7861 Intermediate Similarity NPD4500 Approved
0.7861 Intermediate Similarity NPD4501 Approved
0.7784 Intermediate Similarity NPD7944 Discontinued
0.7771 Intermediate Similarity NPD5934 Clinical (unspecified phase)
0.7759 Intermediate Similarity NPD4638 Approved
0.7759 Intermediate Similarity NPD4640 Approved
0.7759 Intermediate Similarity NPD4639 Approved
0.7746 Intermediate Similarity NPD4550 Clinical (unspecified phase)
0.7738 Intermediate Similarity NPD2882 Phase 1
0.7735 Intermediate Similarity NPD6227 Discontinued
0.7713 Intermediate Similarity NPD6661 Clinical (unspecified phase)
0.7688 Intermediate Similarity NPD3385 Approved
0.7667 Intermediate Similarity NPD8408 Discontinued
0.7661 Intermediate Similarity NPD4669 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD4670 Clinical (unspecified phase)
0.7661 Intermediate Similarity NPD4671 Clinical (unspecified phase)
0.7657 Intermediate Similarity NPD5862 Discovery
0.765 Intermediate Similarity NPD2383 Phase 1
0.764 Intermediate Similarity NPD5104 Approved
0.7636 Intermediate Similarity NPD4637 Clinical (unspecified phase)
0.7633 Intermediate Similarity NPD6158 Phase 2
0.7633 Intermediate Similarity NPD6476 Clinical (unspecified phase)
0.7611 Intermediate Similarity NPD5899 Approved
0.7611 Intermediate Similarity NPD5898 Approved
0.7611 Intermediate Similarity NPD5897 Approved
0.7556 Intermediate Similarity NPD8036 Clinical (unspecified phase)
0.7556 Intermediate Similarity NPD8037 Clinical (unspecified phase)
0.7554 Intermediate Similarity NPD8021 Approved
0.7554 Intermediate Similarity NPD8020 Approved
0.7543 Intermediate Similarity NPD5744 Clinical (unspecified phase)
0.7542 Intermediate Similarity NPD2381 Approved
0.7542 Intermediate Similarity NPD2382 Approved
0.7542 Intermediate Similarity NPD2380 Approved
0.7514 Intermediate Similarity NPD6965 Clinical (unspecified phase)
0.7514 Intermediate Similarity NPD4184 Clinical (unspecified phase)
0.7513 Intermediate Similarity NPD4122 Approved
0.7513 Intermediate Similarity NPD31 Approved
0.7513 Intermediate Similarity NPD32 Approved
0.7513 Intermediate Similarity NPD4034 Approved
0.7513 Intermediate Similarity NPD4038 Approved
0.7513 Intermediate Similarity NPD4033 Approved
0.7513 Intermediate Similarity NPD4039 Approved
0.7513 Intermediate Similarity NPD4036 Approved
0.7513 Intermediate Similarity NPD4035 Approved
0.7513 Intermediate Similarity NPD4037 Approved
0.7485 Intermediate Similarity NPD4120 Approved
0.7485 Intermediate Similarity NPD4121 Phase 3
0.7474 Intermediate Similarity NPD7778 Approved
0.7474 Intermediate Similarity NPD7777 Approved
0.7474 Intermediate Similarity NPD53 Approved
0.7473 Intermediate Similarity NPD6281 Approved
0.7473 Intermediate Similarity NPD4203 Approved
0.7473 Intermediate Similarity NPD4204 Approved
0.746 Intermediate Similarity NPD7935 Phase 2
0.7458 Intermediate Similarity NPD5021 Discontinued
0.7457 Intermediate Similarity NPD4326 Phase 2
0.7449 Intermediate Similarity NPD4520 Approved
0.7443 Intermediate Similarity NPD2915 Discontinued
0.7442 Intermediate Similarity NPD5743 Approved
0.7442 Intermediate Similarity NPD5742 Approved
0.7442 Intermediate Similarity NPD5741 Approved
0.7438 Intermediate Similarity NPD3654 Approved
0.7419 Intermediate Similarity NPD4334 Discontinued
0.7418 Intermediate Similarity NPD6595 Phase 3
0.7396 Intermediate Similarity NPD1683 Approved
0.7391 Intermediate Similarity NPD4957 Phase 2
0.7389 Intermediate Similarity NPD6492 Phase 2
0.7385 Intermediate Similarity NPD4901 Clinical (unspecified phase)
0.7382 Intermediate Similarity NPD7889 Clinical (unspecified phase)
0.738 Intermediate Similarity NPD8063 Discontinued
0.7374 Intermediate Similarity NPD6739 Clinical (unspecified phase)
0.7366 Intermediate Similarity NPD3002 Clinical (unspecified phase)
0.7363 Intermediate Similarity NPD4076 Approved
0.7363 Intermediate Similarity NPD4079 Approved
0.7353 Intermediate Similarity NPD4547 Phase 3
0.7353 Intermediate Similarity NPD4702 Approved
0.7353 Intermediate Similarity NPD4703 Approved
0.7351 Intermediate Similarity NPD6610 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD7424 Clinical (unspecified phase)
0.7351 Intermediate Similarity NPD5075 Discontinued
0.7351 Intermediate Similarity NPD5555 Phase 1
0.7351 Intermediate Similarity NPD6344 Clinical (unspecified phase)
0.7347 Intermediate Similarity NPD7222 Phase 2
0.7337 Intermediate Similarity NPD5596 Phase 2
0.7333 Intermediate Similarity NPD750 Phase 2
0.7318 Intermediate Similarity NPD1325 Approved
0.7318 Intermediate Similarity NPD1326 Approved
0.7314 Intermediate Similarity NPD5255 Approved
0.7308 Intermediate Similarity NPD8122 Approved
0.7308 Intermediate Similarity NPD8123 Approved
0.7308 Intermediate Similarity NPD3505 Approved
0.7308 Intermediate Similarity NPD3506 Approved
0.7294 Intermediate Similarity NPD7469 Discontinued
0.7293 Intermediate Similarity NPD5065 Approved
0.7292 Intermediate Similarity NPD4397 Phase 1
0.7287 Intermediate Similarity NPD4499 Approved
0.7253 Intermediate Similarity NPD5100 Phase 3
0.7249 Intermediate Similarity NPD3785 Clinical (unspecified phase)
0.7245 Intermediate Similarity NPD8114 Approved
0.7245 Intermediate Similarity NPD8115 Approved
0.7243 Intermediate Similarity NPD5522 Clinical (unspecified phase)
0.7241 Intermediate Similarity NPD6285 Phase 2
0.7238 Intermediate Similarity NPD4112 Clinical (unspecified phase)
0.7236 Intermediate Similarity NPD4900 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD8110 Clinical (unspecified phase)
0.7234 Intermediate Similarity NPD7234 Approved
0.7234 Intermediate Similarity NPD7233 Approved
0.7229 Intermediate Similarity NPD45 Approved
0.7229 Intermediate Similarity NPD6554 Approved
0.7228 Intermediate Similarity NPD8464 Clinical (unspecified phase)
0.7228 Intermediate Similarity NPD6452 Discontinued
0.7222 Intermediate Similarity NPD7666 Phase 3
0.7222 Intermediate Similarity NPD7665 Phase 2
0.7219 Intermediate Similarity NPD4047 Discontinued
0.7213 Intermediate Similarity NPD6159 Phase 2
0.7213 Intermediate Similarity NPD2144 Approved
0.7211 Intermediate Similarity NPD4315 Phase 2
0.7208 Intermediate Similarity NPD7957 Phase 1
0.7208 Intermediate Similarity NPD7958 Clinical (unspecified phase)
0.7204 Intermediate Similarity NPD7483 Phase 2
0.7204 Intermediate Similarity NPD7482 Phase 2
0.7202 Intermediate Similarity NPD4987 Clinical (unspecified phase)
0.72 Intermediate Similarity NPD6026 Approved
0.7189 Intermediate Similarity NPD3038 Discontinued
0.7188 Intermediate Similarity NPD7818 Clinical (unspecified phase)
0.7181 Intermediate Similarity NPD8431 Approved
0.7167 Intermediate Similarity NPD4779 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD6249 Phase 2
0.7165 Intermediate Similarity NPD6248 Phase 2
0.7164 Intermediate Similarity NPD7594 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD5912 Clinical (unspecified phase)
0.7158 Intermediate Similarity NPD5913 Phase 3
0.7151 Intermediate Similarity NPD1661 Suspended
0.7151 Intermediate Similarity NPD5728 Clinical (unspecified phase)
0.715 Intermediate Similarity NPD6206 Phase 1
0.7143 Intermediate Similarity NPD7418 Discontinued
0.7143 Intermediate Similarity NPD6183 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD43 Approved
0.7143 Intermediate Similarity NPD6182 Approved
0.7143 Intermediate Similarity NPD7112 Discontinued
0.7136 Intermediate Similarity NPD7947 Clinical (unspecified phase)
0.7135 Intermediate Similarity NPD6861 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD6977 Clinical (unspecified phase)
0.7129 Intermediate Similarity NPD6978 Phase 2
0.7128 Intermediate Similarity NPD5444 Phase 1
0.7127 Intermediate Similarity NPD7474 Suspended
0.7122 Intermediate Similarity NPD6455 Phase 3
0.7121 Intermediate Similarity NPD7001 Phase 3
0.7121 Intermediate Similarity NPD6732 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD6976 Clinical (unspecified phase)
0.7115 Intermediate Similarity NPD7271 Approved
0.7113 Intermediate Similarity NPD6261 Phase 3
0.7104 Intermediate Similarity NPD4736 Clinical (unspecified phase)
0.7095 Intermediate Similarity NPD5140 Approved
0.7095 Intermediate Similarity NPD5138 Approved
0.7087 Intermediate Similarity NPD6717 Clinical (unspecified phase)
0.7085 Intermediate Similarity NPD7453 Approved
0.7085 Intermediate Similarity NPD7452 Approved
0.7081 Intermediate Similarity NPD8386 Phase 2
0.7077 Intermediate Similarity NPD6999 Discontinued
0.7077 Intermediate Similarity NPD7000 Clinical (unspecified phase)
0.7074 Intermediate Similarity NPD3082 Discontinued
0.7071 Intermediate Similarity NPD8272 Phase 2
0.7069 Intermediate Similarity NPD4463 Approved
0.7069 Intermediate Similarity NPD4462 Approved
0.7065 Intermediate Similarity NPD5501 Discontinued
0.7062 Intermediate Similarity NPD2581 Approved
0.7062 Intermediate Similarity NPD2582 Approved
0.7062 Intermediate Similarity NPD5003 Discontinued
0.7059 Intermediate Similarity NPD2094 Phase 2
0.7059 Intermediate Similarity NPD2092 Phase 2
0.7059 Intermediate Similarity NPD4345 Clinical (unspecified phase)
0.7059 Intermediate Similarity NPD5020 Approved
0.7059 Intermediate Similarity NPD2095 Phase 2
0.7048 Intermediate Similarity NPD7730 Approved
0.7048 Intermediate Similarity NPD7731 Approved
0.7047 Intermediate Similarity NPD4427 Phase 2
0.7035 Intermediate Similarity NPD5530 Phase 1
0.7031 Intermediate Similarity NPD6619 Phase 3
0.7031 Intermediate Similarity NPD6569 Phase 2
0.7027 Intermediate Similarity NPD4181 Approved
0.7027 Intermediate Similarity NPD7111 Discontinued
0.7027 Intermediate Similarity NPD6203 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD8327 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD8326 Phase 3
0.7024 Intermediate Similarity NPD8325 Phase 3
0.7021 Intermediate Similarity NPD6178 Phase 3
0.7021 Intermediate Similarity NPD2096 Phase 2
0.7021 Intermediate Similarity NPD2091 Phase 2
0.702 Intermediate Similarity NPD4886 Phase 2
0.7018 Intermediate Similarity NPD3717 Discontinued
0.7018 Intermediate Similarity NPD3525 Discontinued
0.7011 Intermediate Similarity NPD482 Approved
0.7005 Intermediate Similarity NPD6307 Clinical (unspecified phase)
0.7005 Intermediate Similarity NPD4383 Clinical (unspecified phase)

Structure

External Identifiers

PubChem CID   71720003
ChEMBL   CHEMBL2332141
ZINC  

Physicochemical Properties

Molecular Weight:  340.22
ALogP:  -1.0604
MLogP:  3.33
XLogP:  2.722
# Rotatable Bonds:  5
Polar Surface Area:  37.63
# H-Bond Aceptor:  4
# H-Bond Donor:  1
# Rings:  5
# Heavy Atoms:  25

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Biological Activities  
Similar NPs/Drugs