General Information of the Compound
| Compound ID |
CP0394644
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| Compound Name |
2-[(4R)-4-[(2S,18R)-6-[(3-{[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxy}phenyl)methyl]-2,18-dimethyl-6,7-diazapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4,7-dien-17-yl]pentanamido]acetic acid
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| Structure |
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| Formula |
C48H59N3O6
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| Molecular Weight |
774.015
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)[C@H](C)C(=O)Oc1cccc(Cn2cc3C[C@@]4(C)C(CCC5C6CCC([C@H](C)CCC(=O)NCC(O)=O)[C@@]6(C)CCC45)Cc3n2)c1
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| InChI |
InChI=1S/C48H59N3O6/c1-29(9-18-44(52)49-26-45(53)54)40-16-17-41-39-15-13-36-24-43-35(25-48(36,4)42(39)19-20-47(40,41)3)28-51(50-43)27-31-7-6-8-38(21-31)57-46(55)30(2)32-10-11-34-23-37(56-5)14-12-33(34)22-32/h6-8,10-12,14,21-23,28-30,36,39-42H,9,13,15-20,24-27H2,1-5H3,(H,49,52)(H,53,54)/t29-,30+,36?,39?,40?,41?,42?,47-,48+/m1/s1
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| InChIKey |
CBBNFKIUOKXJCZ-JYZLIAPTSA-N
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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