General Information of the Compound
| Compound ID |
CP0003145
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| Compound Name |
(1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
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| Synonyms |
Calcitriol (chemotherapy-induced alopecia)
1,25-DHCC
1,25-DIHYDROXYCHOLECALCIFEROL
1,25-Dihydroxycholecaliferol
1,25-Dihydroxyvitamin D
1,25-Dihydroxyvitamin D3
1-alpha,25-Dihydroxycholecalciferol
1-alpha,25-Dihydroxyvitamin D3
1alpha,25 dihydroxyvitamin D(3)
1alpha,25(OH)2D3
1alpha,25-Dihydroxycholecalciferol
1alpha,25-Dihydroxyvitamin D
1alpha,25-Dihydroxyvitamin D3
32222-06-3
CCRIS 5522
Calcijex
Calcitriol
Calcitriol (API-31543, drug-induced alopecia), Cytotech Labs
Calcitriol (chemotherapy-induced alopecia), Cytotech Labs
Calcitriolum
Calcitriolum [INN-Latin]
DN 101
DN-101
Dihydroxyvitamin D3
EINECS 250-963-8
HSDB 3482
Ro 21-5535
Rocaltrol
Silkis
Soltriol
Topitriol
UNII-FXC9231JVH
Vectical
calcitriol
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| Structure |
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| Formula |
C27H44O3
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| Molecular Weight |
416.646
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| Canonical SMILES |
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C
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| InChI |
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25+,27-/m1/s1
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| InChIKey |
GMRQFYUYWCNGIN-NKMMMXOESA-N
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| CAS |
32222-06-3
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00894, Androgen receptor
Protein ID: PT04542, Bile salt export pump
Protein ID: PT02378, Vitamin D3 receptor
Cell-based Assay
Protein ID: PT02576, Vitamin D3 receptor
Cell Viability or Cytotoxicity Assay
Clinical Information about the Compound